USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1147 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 THR OG1 : rot 150:sc= -0.626 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.05 K(o=-0.58,f=-4.8!) USER MOD Set 2.1: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -166:sc= -0.0233 (180deg=-0.225) USER MOD Single : A 1 MET CE :methyl -151:sc= -0.0888 (180deg=-0.493) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0508) USER MOD Single : A 3 THR OG1 : rot 110:sc= -0.0806 USER MOD Single : A 9 SER OG : rot -114:sc= 0.0893 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= -0.0773 (180deg=-0.152) USER MOD Single : A 25 SER OG : rot 84:sc= 0.585 USER MOD Single : A 28 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.033) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.0748 (180deg=-0.42) USER MOD Single : A 31 THR OG1 : rot 120:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= 0.363 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= 0.771 (180deg=0.524) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 148:sc= 1.36 (180deg=0.174) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= 0.548 (180deg=0.357) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 62 THR OG1 : rot 51:sc= 0.0634 USER MOD Single : A 72 TYR OH : rot -133:sc= 0.0912 USER MOD Single : A 74 GLN : amide:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ -135:sc= 0.764 (180deg=0.00193) USER MOD Single : A 84 MET CE :methyl -106:sc= -0.316 (180deg=-2.35) USER MOD Single : A 87 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.28) USER MOD Single : A 89 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.035) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 172:sc= -0.718 (180deg=-0.903) USER MOD Single : A 117 LYS NZ :NH3+ 151:sc= -0.908 (180deg=-1.09) USER MOD Single : A 120 LYS NZ :NH3+ -179:sc= 0.451 (180deg=0.45) USER MOD Single : A 125 LYS NZ :NH3+ -158:sc= 0.39 (180deg=0.268) USER MOD Single : A 129 HIS : no HD1:sc= -1.04 K(o=-1,f=-5!) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0.00467 K(o=0.0047,f=-0.63) USER MOD Single : A 132 HIS : no HE2:sc= -2.6 X(o=-2.6,f=-2.7!) USER MOD Single : A 133 HIS : no HD1:sc= -0.0035 X(o=-0.0035,f=-0.0035) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.013 15.358 2.866 1.00 72.33 N ATOM 2 CA MET A 1 2.589 15.831 1.531 1.00 43.33 C ATOM 3 C MET A 1 2.256 14.620 0.648 1.00 73.11 C ATOM 4 O MET A 1 1.082 14.386 0.316 1.00 70.40 O ATOM 5 CB MET A 1 3.686 16.720 0.875 1.00 62.22 C ATOM 6 CG MET A 1 4.066 17.966 1.688 1.00 63.44 C ATOM 7 SD MET A 1 5.241 19.048 0.838 1.00 31.05 S ATOM 8 CE MET A 1 6.609 17.943 0.490 1.00 61.15 C ATOM 0 H1 MET A 1 3.158 16.174 3.494 1.00 72.33 H new ATOM 0 H2 MET A 1 2.277 14.741 3.265 1.00 72.33 H new ATOM 0 H3 MET A 1 3.902 14.826 2.779 1.00 72.33 H new ATOM 0 HA MET A 1 1.698 16.450 1.639 1.00 43.33 H new ATOM 0 HB2 MET A 1 4.580 16.116 0.720 1.00 62.22 H new ATOM 0 HB3 MET A 1 3.340 17.036 -0.109 1.00 62.22 H new ATOM 0 HG2 MET A 1 3.162 18.531 1.916 1.00 63.44 H new ATOM 0 HG3 MET A 1 4.495 17.653 2.640 1.00 63.44 H new ATOM 0 HE1 MET A 1 7.538 18.512 0.463 1.00 61.15 H new ATOM 0 HE2 MET A 1 6.671 17.184 1.270 1.00 61.15 H new ATOM 0 HE3 MET A 1 6.451 17.461 -0.475 1.00 61.15 H new ATOM 20 N GLY A 2 3.309 13.848 0.286 1.00 41.40 N ATOM 21 CA GLY A 2 3.158 12.589 -0.456 1.00 63.33 C ATOM 22 C GLY A 2 2.524 11.489 0.378 1.00 23.41 C ATOM 23 O GLY A 2 2.348 11.636 1.598 1.00 14.21 O ATOM 0 H GLY A 2 4.277 14.085 0.502 1.00 41.40 H new ATOM 0 HA2 GLY A 2 2.548 12.765 -1.342 1.00 63.33 H new ATOM 0 HA3 GLY A 2 4.136 12.257 -0.804 1.00 63.33 H new ATOM 27 N THR A 3 2.174 10.379 -0.276 1.00 4.43 N ATOM 28 CA THR A 3 1.515 9.245 0.380 1.00 51.12 C ATOM 29 C THR A 3 2.063 7.917 -0.165 1.00 22.55 C ATOM 30 O THR A 3 2.317 7.787 -1.357 1.00 11.13 O ATOM 31 CB THR A 3 -0.032 9.320 0.179 1.00 51.24 C ATOM 32 OG1 THR A 3 -0.548 10.551 0.736 1.00 30.41 O ATOM 33 CG2 THR A 3 -0.758 8.130 0.824 1.00 64.01 C ATOM 0 H THR A 3 2.339 10.240 -1.273 1.00 4.43 H new ATOM 0 HA THR A 3 1.727 9.294 1.448 1.00 51.12 H new ATOM 0 HB THR A 3 -0.217 9.287 -0.895 1.00 51.24 H new ATOM 0 HG1 THR A 3 -0.837 11.143 0.010 1.00 30.41 H new ATOM 0 HG21 THR A 3 -1.831 8.225 0.658 1.00 64.01 H new ATOM 0 HG22 THR A 3 -0.403 7.201 0.377 1.00 64.01 H new ATOM 0 HG23 THR A 3 -0.556 8.118 1.895 1.00 64.01 H new ATOM 41 N VAL A 4 2.270 6.952 0.744 1.00 74.33 N ATOM 42 CA VAL A 4 2.770 5.611 0.417 1.00 34.11 C ATOM 43 C VAL A 4 1.684 4.567 0.752 1.00 44.13 C ATOM 44 O VAL A 4 1.390 4.320 1.923 1.00 62.03 O ATOM 45 CB VAL A 4 4.101 5.330 1.218 1.00 41.52 C ATOM 46 CG1 VAL A 4 4.751 3.996 0.790 1.00 21.32 C ATOM 47 CG2 VAL A 4 5.084 6.520 1.066 1.00 31.44 C ATOM 0 H VAL A 4 2.092 7.085 1.740 1.00 74.33 H new ATOM 0 HA VAL A 4 2.996 5.545 -0.647 1.00 34.11 H new ATOM 0 HB VAL A 4 3.848 5.232 2.274 1.00 41.52 H new ATOM 0 HG11 VAL A 4 5.665 3.836 1.363 1.00 21.32 H new ATOM 0 HG12 VAL A 4 4.057 3.177 0.978 1.00 21.32 H new ATOM 0 HG13 VAL A 4 4.990 4.032 -0.273 1.00 21.32 H new ATOM 0 HG21 VAL A 4 5.997 6.311 1.624 1.00 31.44 H new ATOM 0 HG22 VAL A 4 5.326 6.659 0.012 1.00 31.44 H new ATOM 0 HG23 VAL A 4 4.620 7.427 1.455 1.00 31.44 H new ATOM 57 N VAL A 5 1.057 4.009 -0.295 1.00 24.34 N ATOM 58 CA VAL A 5 0.032 2.953 -0.179 1.00 73.41 C ATOM 59 C VAL A 5 0.724 1.582 -0.329 1.00 73.53 C ATOM 60 O VAL A 5 1.260 1.280 -1.388 1.00 5.51 O ATOM 61 CB VAL A 5 -1.096 3.130 -1.280 1.00 14.21 C ATOM 62 CG1 VAL A 5 -2.218 2.067 -1.135 1.00 15.10 C ATOM 63 CG2 VAL A 5 -1.673 4.571 -1.255 1.00 4.32 C ATOM 0 H VAL A 5 1.248 4.280 -1.260 1.00 24.34 H new ATOM 0 HA VAL A 5 -0.452 3.022 0.795 1.00 73.41 H new ATOM 0 HB VAL A 5 -0.632 2.970 -2.253 1.00 14.21 H new ATOM 0 HG11 VAL A 5 -2.970 2.224 -1.908 1.00 15.10 H new ATOM 0 HG12 VAL A 5 -1.791 1.070 -1.242 1.00 15.10 H new ATOM 0 HG13 VAL A 5 -2.682 2.160 -0.153 1.00 15.10 H new ATOM 0 HG21 VAL A 5 -2.445 4.667 -2.019 1.00 4.32 H new ATOM 0 HG22 VAL A 5 -2.105 4.773 -0.275 1.00 4.32 H new ATOM 0 HG23 VAL A 5 -0.875 5.286 -1.454 1.00 4.32 H new ATOM 73 N ILE A 6 0.728 0.781 0.741 1.00 22.14 N ATOM 74 CA ILE A 6 1.411 -0.520 0.792 1.00 65.25 C ATOM 75 C ILE A 6 0.387 -1.651 0.593 1.00 12.11 C ATOM 76 O ILE A 6 -0.438 -1.913 1.469 1.00 3.32 O ATOM 77 CB ILE A 6 2.179 -0.686 2.165 1.00 55.44 C ATOM 78 CG1 ILE A 6 3.292 0.399 2.311 1.00 12.30 C ATOM 79 CG2 ILE A 6 2.777 -2.105 2.327 1.00 20.21 C ATOM 80 CD1 ILE A 6 4.347 0.372 1.207 1.00 54.11 C ATOM 0 H ILE A 6 0.250 1.020 1.610 1.00 22.14 H new ATOM 0 HA ILE A 6 2.146 -0.571 -0.011 1.00 65.25 H new ATOM 0 HB ILE A 6 1.449 -0.547 2.962 1.00 55.44 H new ATOM 0 HG12 ILE A 6 2.824 1.383 2.325 1.00 12.30 H new ATOM 0 HG13 ILE A 6 3.787 0.267 3.273 1.00 12.30 H new ATOM 0 HG21 ILE A 6 3.295 -2.174 3.283 1.00 20.21 H new ATOM 0 HG22 ILE A 6 1.976 -2.843 2.294 1.00 20.21 H new ATOM 0 HG23 ILE A 6 3.481 -2.298 1.518 1.00 20.21 H new ATOM 0 HD11 ILE A 6 5.081 1.158 1.386 1.00 54.11 H new ATOM 0 HD12 ILE A 6 4.846 -0.597 1.204 1.00 54.11 H new ATOM 0 HD13 ILE A 6 3.868 0.536 0.242 1.00 54.11 H new ATOM 92 N VAL A 7 0.442 -2.289 -0.583 1.00 50.43 N ATOM 93 CA VAL A 7 -0.420 -3.421 -0.950 1.00 35.35 C ATOM 94 C VAL A 7 0.390 -4.724 -0.821 1.00 4.43 C ATOM 95 O VAL A 7 1.371 -4.925 -1.541 1.00 73.43 O ATOM 96 CB VAL A 7 -0.975 -3.266 -2.419 1.00 4.33 C ATOM 97 CG1 VAL A 7 -1.912 -4.441 -2.797 1.00 53.02 C ATOM 98 CG2 VAL A 7 -1.682 -1.900 -2.598 1.00 73.15 C ATOM 0 H VAL A 7 1.098 -2.029 -1.319 1.00 50.43 H new ATOM 0 HA VAL A 7 -1.277 -3.446 -0.277 1.00 35.35 H new ATOM 0 HB VAL A 7 -0.126 -3.297 -3.102 1.00 4.33 H new ATOM 0 HG11 VAL A 7 -2.276 -4.303 -3.815 1.00 53.02 H new ATOM 0 HG12 VAL A 7 -1.362 -5.380 -2.733 1.00 53.02 H new ATOM 0 HG13 VAL A 7 -2.757 -4.468 -2.109 1.00 53.02 H new ATOM 0 HG21 VAL A 7 -2.057 -1.815 -3.618 1.00 73.15 H new ATOM 0 HG22 VAL A 7 -2.515 -1.827 -1.898 1.00 73.15 H new ATOM 0 HG23 VAL A 7 -0.973 -1.095 -2.404 1.00 73.15 H new ATOM 108 N VAL A 8 -0.027 -5.589 0.114 1.00 14.43 N ATOM 109 CA VAL A 8 0.665 -6.843 0.452 1.00 71.14 C ATOM 110 C VAL A 8 -0.182 -8.053 0.020 1.00 61.52 C ATOM 111 O VAL A 8 -1.340 -8.190 0.444 1.00 1.12 O ATOM 112 CB VAL A 8 0.950 -6.919 2.003 1.00 12.51 C ATOM 113 CG1 VAL A 8 1.569 -8.280 2.424 1.00 3.20 C ATOM 114 CG2 VAL A 8 1.836 -5.736 2.450 1.00 43.41 C ATOM 0 H VAL A 8 -0.870 -5.435 0.667 1.00 14.43 H new ATOM 0 HA VAL A 8 1.615 -6.863 -0.082 1.00 71.14 H new ATOM 0 HB VAL A 8 -0.010 -6.844 2.514 1.00 12.51 H new ATOM 0 HG11 VAL A 8 1.746 -8.282 3.500 1.00 3.20 H new ATOM 0 HG12 VAL A 8 0.882 -9.087 2.168 1.00 3.20 H new ATOM 0 HG13 VAL A 8 2.514 -8.428 1.900 1.00 3.20 H new ATOM 0 HG21 VAL A 8 2.022 -5.805 3.522 1.00 43.41 H new ATOM 0 HG22 VAL A 8 2.785 -5.769 1.914 1.00 43.41 H new ATOM 0 HG23 VAL A 8 1.328 -4.797 2.230 1.00 43.41 H new ATOM 124 N SER A 9 0.390 -8.872 -0.871 1.00 25.21 N ATOM 125 CA SER A 9 -0.097 -10.223 -1.182 1.00 11.04 C ATOM 126 C SER A 9 1.112 -11.112 -1.504 1.00 4.24 C ATOM 127 O SER A 9 2.065 -10.640 -2.133 1.00 40.41 O ATOM 128 CB SER A 9 -1.077 -10.198 -2.373 1.00 74.43 C ATOM 129 OG SER A 9 -1.663 -11.473 -2.577 1.00 52.44 O ATOM 0 H SER A 9 1.218 -8.611 -1.406 1.00 25.21 H new ATOM 0 HA SER A 9 -0.637 -10.621 -0.323 1.00 11.04 H new ATOM 0 HB2 SER A 9 -1.858 -9.460 -2.190 1.00 74.43 H new ATOM 0 HB3 SER A 9 -0.550 -9.888 -3.275 1.00 74.43 H new ATOM 0 HG SER A 9 -1.366 -11.836 -3.438 1.00 52.44 H new ATOM 135 N ARG A 10 1.088 -12.384 -1.066 1.00 64.13 N ATOM 136 CA ARG A 10 2.138 -13.364 -1.437 1.00 74.42 C ATOM 137 C ARG A 10 1.812 -13.941 -2.829 1.00 74.04 C ATOM 138 O ARG A 10 2.708 -14.339 -3.589 1.00 12.23 O ATOM 139 CB ARG A 10 2.276 -14.489 -0.351 1.00 40.23 C ATOM 140 CG ARG A 10 1.358 -15.721 -0.524 1.00 11.31 C ATOM 141 CD ARG A 10 1.382 -16.670 0.701 1.00 4.40 C ATOM 142 NE ARG A 10 0.771 -17.977 0.419 1.00 12.22 N ATOM 143 CZ ARG A 10 -0.538 -18.247 0.348 1.00 63.14 C ATOM 144 NH1 ARG A 10 -1.458 -17.302 0.515 1.00 73.42 N ATOM 145 NH2 ARG A 10 -0.914 -19.489 0.108 1.00 71.13 N ATOM 0 H ARG A 10 0.360 -12.760 -0.459 1.00 64.13 H new ATOM 0 HA ARG A 10 3.105 -12.863 -1.482 1.00 74.42 H new ATOM 0 HB2 ARG A 10 3.311 -14.831 -0.342 1.00 40.23 H new ATOM 0 HB3 ARG A 10 2.078 -14.048 0.626 1.00 40.23 H new ATOM 0 HG2 ARG A 10 0.336 -15.384 -0.696 1.00 11.31 H new ATOM 0 HG3 ARG A 10 1.665 -16.274 -1.412 1.00 11.31 H new ATOM 0 HD2 ARG A 10 2.414 -16.817 1.021 1.00 4.40 H new ATOM 0 HD3 ARG A 10 0.855 -16.199 1.531 1.00 4.40 H new ATOM 0 HE ARG A 10 1.409 -18.757 0.262 1.00 12.22 H new ATOM 0 HH11 ARG A 10 -1.173 -16.341 0.703 1.00 73.42 H new ATOM 0 HH12 ARG A 10 -2.448 -17.538 0.455 1.00 73.42 H new ATOM 0 HH21 ARG A 10 -0.213 -20.219 -0.019 1.00 71.13 H new ATOM 0 HH22 ARG A 10 -1.906 -19.719 0.049 1.00 71.13 H new ATOM 159 N ASP A 11 0.502 -13.955 -3.140 1.00 4.13 N ATOM 160 CA ASP A 11 -0.021 -14.338 -4.451 1.00 14.13 C ATOM 161 C ASP A 11 0.200 -13.164 -5.427 1.00 61.54 C ATOM 162 O ASP A 11 -0.443 -12.118 -5.294 1.00 13.15 O ATOM 163 CB ASP A 11 -1.531 -14.693 -4.336 1.00 11.14 C ATOM 164 CG ASP A 11 -2.132 -15.211 -5.660 1.00 3.13 C ATOM 165 OD1 ASP A 11 -2.266 -16.442 -5.828 1.00 64.24 O ATOM 166 OD2 ASP A 11 -2.465 -14.398 -6.543 1.00 30.42 O ATOM 0 H ASP A 11 -0.226 -13.696 -2.474 1.00 4.13 H new ATOM 0 HA ASP A 11 0.500 -15.219 -4.825 1.00 14.13 H new ATOM 0 HB2 ASP A 11 -1.663 -15.450 -3.563 1.00 11.14 H new ATOM 0 HB3 ASP A 11 -2.083 -13.810 -4.014 1.00 11.14 H new ATOM 171 N GLU A 12 1.111 -13.363 -6.403 1.00 64.34 N ATOM 172 CA GLU A 12 1.524 -12.321 -7.370 1.00 11.33 C ATOM 173 C GLU A 12 0.342 -11.835 -8.238 1.00 51.02 C ATOM 174 O GLU A 12 0.297 -10.662 -8.650 1.00 14.44 O ATOM 175 CB GLU A 12 2.671 -12.864 -8.264 1.00 44.43 C ATOM 176 CG GLU A 12 3.336 -11.818 -9.189 1.00 55.22 C ATOM 177 CD GLU A 12 4.348 -12.442 -10.164 1.00 23.03 C ATOM 178 OE1 GLU A 12 5.293 -13.120 -9.699 1.00 41.21 O ATOM 179 OE2 GLU A 12 4.213 -12.258 -11.395 1.00 35.23 O ATOM 0 H GLU A 12 1.584 -14.256 -6.544 1.00 64.34 H new ATOM 0 HA GLU A 12 1.880 -11.459 -6.805 1.00 11.33 H new ATOM 0 HB2 GLU A 12 3.438 -13.297 -7.621 1.00 44.43 H new ATOM 0 HB3 GLU A 12 2.278 -13.673 -8.880 1.00 44.43 H new ATOM 0 HG2 GLU A 12 2.564 -11.299 -9.757 1.00 55.22 H new ATOM 0 HG3 GLU A 12 3.841 -11.069 -8.579 1.00 55.22 H new ATOM 186 N ARG A 13 -0.639 -12.732 -8.465 1.00 14.42 N ATOM 187 CA ARG A 13 -1.787 -12.439 -9.336 1.00 2.14 C ATOM 188 C ARG A 13 -2.782 -11.470 -8.665 1.00 64.42 C ATOM 189 O ARG A 13 -3.553 -10.802 -9.355 1.00 44.54 O ATOM 190 CB ARG A 13 -2.512 -13.731 -9.782 1.00 14.14 C ATOM 191 CG ARG A 13 -1.596 -14.801 -10.426 1.00 31.23 C ATOM 192 CD ARG A 13 -2.382 -15.832 -11.258 1.00 72.32 C ATOM 193 NE ARG A 13 -3.003 -15.207 -12.445 1.00 55.34 N ATOM 194 CZ ARG A 13 -4.266 -15.398 -12.861 1.00 21.22 C ATOM 195 NH1 ARG A 13 -5.090 -16.208 -12.197 1.00 25.14 N ATOM 196 NH2 ARG A 13 -4.698 -14.776 -13.952 1.00 53.13 N ATOM 0 H ARG A 13 -0.656 -13.666 -8.055 1.00 14.42 H new ATOM 0 HA ARG A 13 -1.387 -11.951 -10.225 1.00 2.14 H new ATOM 0 HB2 ARG A 13 -3.007 -14.170 -8.916 1.00 14.14 H new ATOM 0 HB3 ARG A 13 -3.293 -13.465 -10.495 1.00 14.14 H new ATOM 0 HG2 ARG A 13 -0.862 -14.309 -11.064 1.00 31.23 H new ATOM 0 HG3 ARG A 13 -1.042 -15.318 -9.643 1.00 31.23 H new ATOM 0 HD2 ARG A 13 -1.713 -16.632 -11.574 1.00 72.32 H new ATOM 0 HD3 ARG A 13 -3.155 -16.288 -10.639 1.00 72.32 H new ATOM 0 HE ARG A 13 -2.422 -14.576 -12.996 1.00 55.34 H new ATOM 0 HH11 ARG A 13 -4.764 -16.693 -11.361 1.00 25.14 H new ATOM 0 HH12 ARG A 13 -6.046 -16.343 -12.525 1.00 25.14 H new ATOM 0 HH21 ARG A 13 -4.072 -14.158 -14.468 1.00 53.13 H new ATOM 0 HH22 ARG A 13 -5.656 -14.916 -14.274 1.00 53.13 H new ATOM 210 N ILE A 14 -2.780 -11.394 -7.321 1.00 11.30 N ATOM 211 CA ILE A 14 -3.576 -10.378 -6.612 1.00 53.03 C ATOM 212 C ILE A 14 -2.922 -8.981 -6.787 1.00 75.53 C ATOM 213 O ILE A 14 -3.621 -7.975 -6.916 1.00 61.30 O ATOM 214 CB ILE A 14 -3.812 -10.729 -5.092 1.00 43.41 C ATOM 215 CG1 ILE A 14 -4.472 -12.142 -4.953 1.00 61.41 C ATOM 216 CG2 ILE A 14 -4.706 -9.651 -4.422 1.00 24.22 C ATOM 217 CD1 ILE A 14 -4.744 -12.600 -3.526 1.00 2.32 C ATOM 0 H ILE A 14 -2.245 -12.014 -6.713 1.00 11.30 H new ATOM 0 HA ILE A 14 -4.568 -10.363 -7.063 1.00 53.03 H new ATOM 0 HB ILE A 14 -2.846 -10.745 -4.587 1.00 43.41 H new ATOM 0 HG12 ILE A 14 -5.414 -12.139 -5.501 1.00 61.41 H new ATOM 0 HG13 ILE A 14 -3.825 -12.875 -5.435 1.00 61.41 H new ATOM 0 HG21 ILE A 14 -4.860 -9.906 -3.374 1.00 24.22 H new ATOM 0 HG22 ILE A 14 -4.217 -8.679 -4.491 1.00 24.22 H new ATOM 0 HG23 ILE A 14 -5.669 -9.609 -4.931 1.00 24.22 H new ATOM 0 HD11 ILE A 14 -5.201 -13.589 -3.542 1.00 2.32 H new ATOM 0 HD12 ILE A 14 -3.806 -12.643 -2.973 1.00 2.32 H new ATOM 0 HD13 ILE A 14 -5.420 -11.896 -3.040 1.00 2.32 H new ATOM 229 N LEU A 15 -1.569 -8.924 -6.866 1.00 15.53 N ATOM 230 CA LEU A 15 -0.854 -7.645 -7.136 1.00 75.14 C ATOM 231 C LEU A 15 -1.174 -7.105 -8.555 1.00 34.21 C ATOM 232 O LEU A 15 -1.268 -5.887 -8.732 1.00 42.11 O ATOM 233 CB LEU A 15 0.697 -7.742 -6.940 1.00 4.34 C ATOM 234 CG LEU A 15 1.244 -7.963 -5.476 1.00 42.11 C ATOM 235 CD1 LEU A 15 0.468 -7.138 -4.417 1.00 5.33 C ATOM 236 CD2 LEU A 15 1.311 -9.453 -5.104 1.00 21.30 C ATOM 0 H LEU A 15 -0.957 -9.732 -6.749 1.00 15.53 H new ATOM 0 HA LEU A 15 -1.227 -6.943 -6.390 1.00 75.14 H new ATOM 0 HB2 LEU A 15 1.062 -8.561 -7.560 1.00 4.34 H new ATOM 0 HB3 LEU A 15 1.141 -6.825 -7.328 1.00 4.34 H new ATOM 0 HG LEU A 15 2.266 -7.585 -5.473 1.00 42.11 H new ATOM 0 HD11 LEU A 15 0.887 -7.329 -3.429 1.00 5.33 H new ATOM 0 HD12 LEU A 15 0.554 -6.076 -4.649 1.00 5.33 H new ATOM 0 HD13 LEU A 15 -0.583 -7.428 -4.428 1.00 5.33 H new ATOM 0 HD21 LEU A 15 1.693 -9.558 -4.088 1.00 21.30 H new ATOM 0 HD22 LEU A 15 0.313 -9.888 -5.163 1.00 21.30 H new ATOM 0 HD23 LEU A 15 1.974 -9.971 -5.796 1.00 21.30 H new ATOM 248 N GLU A 16 -1.353 -8.009 -9.556 1.00 43.42 N ATOM 249 CA GLU A 16 -1.605 -7.595 -10.965 1.00 53.30 C ATOM 250 C GLU A 16 -3.055 -7.079 -11.160 1.00 30.05 C ATOM 251 O GLU A 16 -3.279 -6.164 -11.965 1.00 74.34 O ATOM 252 CB GLU A 16 -1.301 -8.736 -11.995 1.00 2.33 C ATOM 253 CG GLU A 16 -2.332 -9.884 -12.021 1.00 32.55 C ATOM 254 CD GLU A 16 -2.110 -10.912 -13.140 1.00 34.23 C ATOM 255 OE1 GLU A 16 -1.500 -11.971 -12.885 1.00 3.02 O ATOM 256 OE2 GLU A 16 -2.548 -10.657 -14.286 1.00 44.53 O ATOM 0 H GLU A 16 -1.328 -9.019 -9.416 1.00 43.42 H new ATOM 0 HA GLU A 16 -0.911 -6.778 -11.162 1.00 53.30 H new ATOM 0 HB2 GLU A 16 -1.242 -8.299 -12.992 1.00 2.33 H new ATOM 0 HB3 GLU A 16 -0.320 -9.154 -11.772 1.00 2.33 H new ATOM 0 HG2 GLU A 16 -2.308 -10.399 -11.061 1.00 32.55 H new ATOM 0 HG3 GLU A 16 -3.329 -9.458 -12.129 1.00 32.55 H new ATOM 263 N GLU A 17 -4.042 -7.666 -10.423 1.00 54.04 N ATOM 264 CA GLU A 17 -5.455 -7.228 -10.521 1.00 23.24 C ATOM 265 C GLU A 17 -5.618 -5.859 -9.844 1.00 55.43 C ATOM 266 O GLU A 17 -6.285 -4.965 -10.371 1.00 73.22 O ATOM 267 CB GLU A 17 -6.458 -8.265 -9.914 1.00 52.34 C ATOM 268 CG GLU A 17 -6.332 -8.520 -8.395 1.00 12.45 C ATOM 269 CD GLU A 17 -7.485 -9.336 -7.784 1.00 52.12 C ATOM 270 OE1 GLU A 17 -7.698 -10.482 -8.220 1.00 45.21 O ATOM 271 OE2 GLU A 17 -8.202 -8.816 -6.898 1.00 14.31 O ATOM 0 H GLU A 17 -3.883 -8.431 -9.767 1.00 54.04 H new ATOM 0 HA GLU A 17 -5.699 -7.149 -11.580 1.00 23.24 H new ATOM 0 HB2 GLU A 17 -7.472 -7.924 -10.122 1.00 52.34 H new ATOM 0 HB3 GLU A 17 -6.327 -9.214 -10.434 1.00 52.34 H new ATOM 0 HG2 GLU A 17 -5.394 -9.042 -8.204 1.00 12.45 H new ATOM 0 HG3 GLU A 17 -6.273 -7.560 -7.883 1.00 12.45 H new ATOM 278 N LEU A 18 -4.948 -5.701 -8.685 1.00 14.15 N ATOM 279 CA LEU A 18 -4.979 -4.459 -7.901 1.00 14.54 C ATOM 280 C LEU A 18 -4.134 -3.358 -8.568 1.00 13.54 C ATOM 281 O LEU A 18 -4.354 -2.164 -8.323 1.00 12.22 O ATOM 282 CB LEU A 18 -4.540 -4.749 -6.441 1.00 73.21 C ATOM 283 CG LEU A 18 -5.453 -5.760 -5.656 1.00 63.02 C ATOM 284 CD1 LEU A 18 -4.985 -5.935 -4.193 1.00 21.23 C ATOM 285 CD2 LEU A 18 -6.944 -5.360 -5.734 1.00 35.05 C ATOM 0 H LEU A 18 -4.372 -6.433 -8.270 1.00 14.15 H new ATOM 0 HA LEU A 18 -6.000 -4.079 -7.870 1.00 14.54 H new ATOM 0 HB2 LEU A 18 -3.522 -5.139 -6.455 1.00 73.21 H new ATOM 0 HB3 LEU A 18 -4.513 -3.807 -5.893 1.00 73.21 H new ATOM 0 HG LEU A 18 -5.353 -6.730 -6.144 1.00 63.02 H new ATOM 0 HD11 LEU A 18 -5.641 -6.641 -3.683 1.00 21.23 H new ATOM 0 HD12 LEU A 18 -3.963 -6.315 -4.181 1.00 21.23 H new ATOM 0 HD13 LEU A 18 -5.021 -4.973 -3.682 1.00 21.23 H new ATOM 0 HD21 LEU A 18 -7.544 -6.082 -5.180 1.00 35.05 H new ATOM 0 HD22 LEU A 18 -7.078 -4.369 -5.301 1.00 35.05 H new ATOM 0 HD23 LEU A 18 -7.263 -5.347 -6.776 1.00 35.05 H new ATOM 297 N LEU A 19 -3.183 -3.781 -9.427 1.00 62.45 N ATOM 298 CA LEU A 19 -2.417 -2.878 -10.306 1.00 71.13 C ATOM 299 C LEU A 19 -3.362 -2.223 -11.323 1.00 43.53 C ATOM 300 O LEU A 19 -3.384 -0.993 -11.454 1.00 53.41 O ATOM 301 CB LEU A 19 -1.284 -3.670 -11.019 1.00 41.34 C ATOM 302 CG LEU A 19 -0.371 -2.876 -12.010 1.00 11.01 C ATOM 303 CD1 LEU A 19 0.333 -1.692 -11.317 1.00 33.53 C ATOM 304 CD2 LEU A 19 0.651 -3.812 -12.699 1.00 35.13 C ATOM 0 H LEU A 19 -2.925 -4.763 -9.529 1.00 62.45 H new ATOM 0 HA LEU A 19 -1.956 -2.090 -9.711 1.00 71.13 H new ATOM 0 HB2 LEU A 19 -0.647 -4.112 -10.253 1.00 41.34 H new ATOM 0 HB3 LEU A 19 -1.741 -4.494 -11.567 1.00 41.34 H new ATOM 0 HG LEU A 19 -1.017 -2.459 -12.783 1.00 11.01 H new ATOM 0 HD11 LEU A 19 0.957 -1.167 -12.040 1.00 33.53 H new ATOM 0 HD12 LEU A 19 -0.415 -1.007 -10.918 1.00 33.53 H new ATOM 0 HD13 LEU A 19 0.955 -2.064 -10.503 1.00 33.53 H new ATOM 0 HD21 LEU A 19 1.272 -3.233 -13.382 1.00 35.13 H new ATOM 0 HD22 LEU A 19 1.282 -4.281 -11.944 1.00 35.13 H new ATOM 0 HD23 LEU A 19 0.120 -4.583 -13.257 1.00 35.13 H new ATOM 316 N GLU A 20 -4.188 -3.067 -11.982 1.00 61.32 N ATOM 317 CA GLU A 20 -5.180 -2.612 -12.973 1.00 52.13 C ATOM 318 C GLU A 20 -6.218 -1.658 -12.355 1.00 72.13 C ATOM 319 O GLU A 20 -6.718 -0.779 -13.053 1.00 3.24 O ATOM 320 CB GLU A 20 -5.887 -3.819 -13.647 1.00 32.40 C ATOM 321 CG GLU A 20 -4.986 -4.652 -14.578 1.00 3.12 C ATOM 322 CD GLU A 20 -4.436 -3.853 -15.780 1.00 53.05 C ATOM 323 OE1 GLU A 20 -5.199 -3.605 -16.742 1.00 12.13 O ATOM 324 OE2 GLU A 20 -3.240 -3.480 -15.777 1.00 40.32 O ATOM 0 H GLU A 20 -4.183 -4.077 -11.840 1.00 61.32 H new ATOM 0 HA GLU A 20 -4.635 -2.056 -13.736 1.00 52.13 H new ATOM 0 HB2 GLU A 20 -6.285 -4.471 -12.869 1.00 32.40 H new ATOM 0 HB3 GLU A 20 -6.738 -3.451 -14.220 1.00 32.40 H new ATOM 0 HG2 GLU A 20 -4.150 -5.048 -14.002 1.00 3.12 H new ATOM 0 HG3 GLU A 20 -5.552 -5.507 -14.948 1.00 3.12 H new ATOM 331 N VAL A 21 -6.515 -1.824 -11.047 1.00 33.15 N ATOM 332 CA VAL A 21 -7.457 -0.942 -10.332 1.00 50.53 C ATOM 333 C VAL A 21 -6.956 0.521 -10.347 1.00 62.51 C ATOM 334 O VAL A 21 -7.697 1.420 -10.750 1.00 51.34 O ATOM 335 CB VAL A 21 -7.714 -1.404 -8.850 1.00 4.24 C ATOM 336 CG1 VAL A 21 -8.696 -0.450 -8.129 1.00 24.41 C ATOM 337 CG2 VAL A 21 -8.229 -2.861 -8.788 1.00 34.12 C ATOM 0 H VAL A 21 -6.115 -2.561 -10.467 1.00 33.15 H new ATOM 0 HA VAL A 21 -8.406 -1.007 -10.864 1.00 50.53 H new ATOM 0 HB VAL A 21 -6.756 -1.366 -8.331 1.00 4.24 H new ATOM 0 HG11 VAL A 21 -8.854 -0.795 -7.107 1.00 24.41 H new ATOM 0 HG12 VAL A 21 -8.279 0.557 -8.112 1.00 24.41 H new ATOM 0 HG13 VAL A 21 -9.648 -0.439 -8.660 1.00 24.41 H new ATOM 0 HG21 VAL A 21 -8.395 -3.144 -7.749 1.00 34.12 H new ATOM 0 HG22 VAL A 21 -9.166 -2.940 -9.340 1.00 34.12 H new ATOM 0 HG23 VAL A 21 -7.490 -3.527 -9.232 1.00 34.12 H new ATOM 347 N VAL A 22 -5.675 0.730 -9.958 1.00 11.12 N ATOM 348 CA VAL A 22 -5.059 2.082 -9.927 1.00 53.45 C ATOM 349 C VAL A 22 -5.018 2.683 -11.344 1.00 31.41 C ATOM 350 O VAL A 22 -5.380 3.839 -11.552 1.00 75.24 O ATOM 351 CB VAL A 22 -3.585 2.074 -9.357 1.00 1.33 C ATOM 352 CG1 VAL A 22 -3.055 3.521 -9.146 1.00 34.03 C ATOM 353 CG2 VAL A 22 -3.486 1.245 -8.065 1.00 15.15 C ATOM 0 H VAL A 22 -5.048 -0.018 -9.662 1.00 11.12 H new ATOM 0 HA VAL A 22 -5.682 2.682 -9.263 1.00 53.45 H new ATOM 0 HB VAL A 22 -2.947 1.595 -10.100 1.00 1.33 H new ATOM 0 HG11 VAL A 22 -2.039 3.483 -8.753 1.00 34.03 H new ATOM 0 HG12 VAL A 22 -3.056 4.051 -10.098 1.00 34.03 H new ATOM 0 HG13 VAL A 22 -3.698 4.044 -8.438 1.00 34.03 H new ATOM 0 HG21 VAL A 22 -2.459 1.261 -7.700 1.00 15.15 H new ATOM 0 HG22 VAL A 22 -4.146 1.670 -7.309 1.00 15.15 H new ATOM 0 HG23 VAL A 22 -3.783 0.216 -8.269 1.00 15.15 H new ATOM 363 N LEU A 23 -4.609 1.845 -12.315 1.00 33.12 N ATOM 364 CA LEU A 23 -4.373 2.271 -13.706 1.00 51.11 C ATOM 365 C LEU A 23 -5.688 2.663 -14.426 1.00 34.21 C ATOM 366 O LEU A 23 -5.675 3.530 -15.303 1.00 74.53 O ATOM 367 CB LEU A 23 -3.615 1.155 -14.479 1.00 34.22 C ATOM 368 CG LEU A 23 -2.228 0.730 -13.885 1.00 65.31 C ATOM 369 CD1 LEU A 23 -1.598 -0.423 -14.701 1.00 74.54 C ATOM 370 CD2 LEU A 23 -1.259 1.931 -13.764 1.00 54.14 C ATOM 0 H LEU A 23 -4.433 0.853 -12.156 1.00 33.12 H new ATOM 0 HA LEU A 23 -3.753 3.167 -13.685 1.00 51.11 H new ATOM 0 HB2 LEU A 23 -4.254 0.273 -14.524 1.00 34.22 H new ATOM 0 HB3 LEU A 23 -3.461 1.491 -15.505 1.00 34.22 H new ATOM 0 HG LEU A 23 -2.409 0.362 -12.875 1.00 65.31 H new ATOM 0 HD11 LEU A 23 -0.637 -0.695 -14.264 1.00 74.54 H new ATOM 0 HD12 LEU A 23 -2.262 -1.287 -14.683 1.00 74.54 H new ATOM 0 HD13 LEU A 23 -1.450 -0.101 -15.732 1.00 74.54 H new ATOM 0 HD21 LEU A 23 -0.310 1.592 -13.348 1.00 54.14 H new ATOM 0 HD22 LEU A 23 -1.090 2.363 -14.750 1.00 54.14 H new ATOM 0 HD23 LEU A 23 -1.694 2.685 -13.108 1.00 54.14 H new ATOM 382 N LYS A 24 -6.818 2.024 -14.046 1.00 15.44 N ATOM 383 CA LYS A 24 -8.156 2.363 -14.591 1.00 70.13 C ATOM 384 C LYS A 24 -8.704 3.633 -13.921 1.00 24.14 C ATOM 385 O LYS A 24 -9.285 4.493 -14.589 1.00 43.23 O ATOM 386 CB LYS A 24 -9.181 1.195 -14.398 1.00 51.21 C ATOM 387 CG LYS A 24 -8.895 -0.073 -15.232 1.00 4.33 C ATOM 388 CD LYS A 24 -8.845 0.204 -16.755 1.00 73.10 C ATOM 389 CE LYS A 24 -8.622 -1.072 -17.584 1.00 10.24 C ATOM 390 NZ LYS A 24 -7.395 -1.800 -17.170 1.00 0.43 N ATOM 0 H LYS A 24 -6.831 1.268 -13.362 1.00 15.44 H new ATOM 0 HA LYS A 24 -8.030 2.534 -15.660 1.00 70.13 H new ATOM 0 HB2 LYS A 24 -9.201 0.920 -13.343 1.00 51.21 H new ATOM 0 HB3 LYS A 24 -10.176 1.560 -14.651 1.00 51.21 H new ATOM 0 HG2 LYS A 24 -7.945 -0.503 -14.915 1.00 4.33 H new ATOM 0 HG3 LYS A 24 -9.665 -0.817 -15.028 1.00 4.33 H new ATOM 0 HD2 LYS A 24 -9.778 0.675 -17.065 1.00 73.10 H new ATOM 0 HD3 LYS A 24 -8.044 0.913 -16.965 1.00 73.10 H new ATOM 0 HE2 LYS A 24 -9.486 -1.728 -17.478 1.00 10.24 H new ATOM 0 HE3 LYS A 24 -8.549 -0.810 -18.639 1.00 10.24 H new ATOM 0 HZ1 LYS A 24 -7.209 -2.575 -17.838 1.00 0.43 H new ATOM 0 HZ2 LYS A 24 -6.587 -1.145 -17.166 1.00 0.43 H new ATOM 0 HZ3 LYS A 24 -7.529 -2.191 -16.216 1.00 0.43 H new ATOM 404 N SER A 25 -8.514 3.728 -12.593 1.00 61.55 N ATOM 405 CA SER A 25 -9.074 4.818 -11.780 1.00 72.11 C ATOM 406 C SER A 25 -8.314 6.130 -12.044 1.00 75.24 C ATOM 407 O SER A 25 -8.853 7.066 -12.650 1.00 52.25 O ATOM 408 CB SER A 25 -9.047 4.423 -10.280 1.00 23.42 C ATOM 409 OG SER A 25 -9.803 3.243 -10.064 1.00 44.20 O ATOM 0 H SER A 25 -7.970 3.053 -12.056 1.00 61.55 H new ATOM 0 HA SER A 25 -10.113 4.985 -12.063 1.00 72.11 H new ATOM 0 HB2 SER A 25 -8.018 4.267 -9.957 1.00 23.42 H new ATOM 0 HB3 SER A 25 -9.450 5.236 -9.676 1.00 23.42 H new ATOM 0 HG SER A 25 -9.246 2.459 -10.252 1.00 44.20 H new ATOM 415 N ASP A 26 -7.046 6.166 -11.630 1.00 74.20 N ATOM 416 CA ASP A 26 -6.198 7.357 -11.715 1.00 33.30 C ATOM 417 C ASP A 26 -4.730 6.949 -12.001 1.00 10.13 C ATOM 418 O ASP A 26 -3.925 6.765 -11.083 1.00 44.34 O ATOM 419 CB ASP A 26 -6.362 8.224 -10.420 1.00 15.23 C ATOM 420 CG ASP A 26 -6.143 7.488 -9.073 1.00 62.11 C ATOM 421 OD1 ASP A 26 -6.411 6.270 -8.979 1.00 72.53 O ATOM 422 OD2 ASP A 26 -5.771 8.154 -8.086 1.00 62.34 O ATOM 0 H ASP A 26 -6.573 5.360 -11.221 1.00 74.20 H new ATOM 0 HA ASP A 26 -6.512 7.982 -12.551 1.00 33.30 H new ATOM 0 HB2 ASP A 26 -5.661 9.057 -10.474 1.00 15.23 H new ATOM 0 HB3 ASP A 26 -7.365 8.651 -10.418 1.00 15.23 H new ATOM 427 N PRO A 27 -4.356 6.806 -13.326 1.00 23.25 N ATOM 428 CA PRO A 27 -2.984 6.403 -13.750 1.00 54.13 C ATOM 429 C PRO A 27 -1.938 7.534 -13.588 1.00 54.33 C ATOM 430 O PRO A 27 -0.773 7.364 -13.968 1.00 52.32 O ATOM 431 CB PRO A 27 -3.187 6.020 -15.238 1.00 14.23 C ATOM 432 CG PRO A 27 -4.317 6.890 -15.698 1.00 33.34 C ATOM 433 CD PRO A 27 -5.251 7.006 -14.511 1.00 74.32 C ATOM 0 HA PRO A 27 -2.582 5.596 -13.138 1.00 54.13 H new ATOM 0 HB2 PRO A 27 -2.284 6.201 -15.821 1.00 14.23 H new ATOM 0 HB3 PRO A 27 -3.430 4.963 -15.346 1.00 14.23 H new ATOM 0 HG2 PRO A 27 -3.955 7.870 -16.010 1.00 33.34 H new ATOM 0 HG3 PRO A 27 -4.826 6.451 -16.556 1.00 33.34 H new ATOM 0 HD2 PRO A 27 -5.741 7.979 -14.482 1.00 74.32 H new ATOM 0 HD3 PRO A 27 -6.039 6.254 -14.548 1.00 74.32 H new ATOM 441 N ASN A 28 -2.382 8.687 -13.047 1.00 25.02 N ATOM 442 CA ASN A 28 -1.502 9.816 -12.670 1.00 5.54 C ATOM 443 C ASN A 28 -0.629 9.407 -11.475 1.00 74.13 C ATOM 444 O ASN A 28 0.536 9.802 -11.369 1.00 23.02 O ATOM 445 CB ASN A 28 -2.341 11.070 -12.302 1.00 4.24 C ATOM 446 CG ASN A 28 -3.406 11.402 -13.341 1.00 35.45 C ATOM 447 OD1 ASN A 28 -3.166 12.146 -14.293 1.00 73.25 O ATOM 448 ND2 ASN A 28 -4.596 10.847 -13.160 1.00 45.40 N ATOM 0 H ASN A 28 -3.369 8.864 -12.857 1.00 25.02 H new ATOM 0 HA ASN A 28 -0.868 10.064 -13.521 1.00 5.54 H new ATOM 0 HB2 ASN A 28 -2.821 10.908 -11.337 1.00 4.24 H new ATOM 0 HB3 ASN A 28 -1.675 11.925 -12.187 1.00 4.24 H new ATOM 0 HD21 ASN A 28 -5.350 11.031 -13.821 1.00 45.40 H new ATOM 0 HD22 ASN A 28 -4.757 10.236 -12.359 1.00 45.40 H new ATOM 455 N VAL A 29 -1.232 8.606 -10.577 1.00 22.54 N ATOM 456 CA VAL A 29 -0.542 8.025 -9.419 1.00 73.44 C ATOM 457 C VAL A 29 0.473 6.974 -9.891 1.00 44.24 C ATOM 458 O VAL A 29 0.159 6.142 -10.759 1.00 61.40 O ATOM 459 CB VAL A 29 -1.565 7.380 -8.412 1.00 13.11 C ATOM 460 CG1 VAL A 29 -0.853 6.702 -7.213 1.00 55.24 C ATOM 461 CG2 VAL A 29 -2.566 8.443 -7.931 1.00 22.33 C ATOM 0 H VAL A 29 -2.216 8.345 -10.638 1.00 22.54 H new ATOM 0 HA VAL A 29 -0.017 8.824 -8.897 1.00 73.44 H new ATOM 0 HB VAL A 29 -2.107 6.595 -8.940 1.00 13.11 H new ATOM 0 HG11 VAL A 29 -1.598 6.271 -6.544 1.00 55.24 H new ATOM 0 HG12 VAL A 29 -0.194 5.914 -7.579 1.00 55.24 H new ATOM 0 HG13 VAL A 29 -0.266 7.444 -6.672 1.00 55.24 H new ATOM 0 HG21 VAL A 29 -3.271 7.990 -7.234 1.00 22.33 H new ATOM 0 HG22 VAL A 29 -2.029 9.249 -7.431 1.00 22.33 H new ATOM 0 HG23 VAL A 29 -3.109 8.845 -8.786 1.00 22.33 H new ATOM 471 N LYS A 30 1.686 7.042 -9.332 1.00 21.44 N ATOM 472 CA LYS A 30 2.777 6.136 -9.685 1.00 65.52 C ATOM 473 C LYS A 30 2.546 4.753 -9.049 1.00 72.51 C ATOM 474 O LYS A 30 2.104 4.657 -7.911 1.00 44.51 O ATOM 475 CB LYS A 30 4.127 6.753 -9.238 1.00 75.31 C ATOM 476 CG LYS A 30 5.377 5.929 -9.613 1.00 21.24 C ATOM 477 CD LYS A 30 5.414 5.568 -11.115 1.00 64.33 C ATOM 478 CE LYS A 30 6.749 4.956 -11.535 1.00 64.32 C ATOM 479 NZ LYS A 30 7.865 5.914 -11.334 1.00 2.54 N ATOM 0 H LYS A 30 1.936 7.729 -8.621 1.00 21.44 H new ATOM 0 HA LYS A 30 2.806 5.999 -10.766 1.00 65.52 H new ATOM 0 HB2 LYS A 30 4.219 7.746 -9.679 1.00 75.31 H new ATOM 0 HB3 LYS A 30 4.108 6.885 -8.156 1.00 75.31 H new ATOM 0 HG2 LYS A 30 6.273 6.494 -9.356 1.00 21.24 H new ATOM 0 HG3 LYS A 30 5.397 5.014 -9.021 1.00 21.24 H new ATOM 0 HD2 LYS A 30 4.610 4.866 -11.337 1.00 64.33 H new ATOM 0 HD3 LYS A 30 5.227 6.465 -11.706 1.00 64.33 H new ATOM 0 HE2 LYS A 30 6.935 4.051 -10.957 1.00 64.32 H new ATOM 0 HE3 LYS A 30 6.703 4.661 -12.583 1.00 64.32 H new ATOM 0 HZ1 LYS A 30 8.688 5.610 -11.892 1.00 2.54 H new ATOM 0 HZ2 LYS A 30 7.569 6.862 -11.642 1.00 2.54 H new ATOM 0 HZ3 LYS A 30 8.121 5.942 -10.326 1.00 2.54 H new ATOM 493 N THR A 31 2.824 3.695 -9.819 1.00 13.43 N ATOM 494 CA THR A 31 2.737 2.309 -9.351 1.00 42.22 C ATOM 495 C THR A 31 4.102 1.630 -9.545 1.00 21.55 C ATOM 496 O THR A 31 4.742 1.795 -10.594 1.00 4.30 O ATOM 497 CB THR A 31 1.626 1.527 -10.131 1.00 60.42 C ATOM 498 OG1 THR A 31 1.839 1.642 -11.551 1.00 31.20 O ATOM 499 CG2 THR A 31 0.206 2.030 -9.799 1.00 2.14 C ATOM 0 H THR A 31 3.118 3.778 -10.792 1.00 13.43 H new ATOM 0 HA THR A 31 2.470 2.304 -8.294 1.00 42.22 H new ATOM 0 HB THR A 31 1.699 0.486 -9.817 1.00 60.42 H new ATOM 0 HG1 THR A 31 1.968 0.750 -11.936 1.00 31.20 H new ATOM 0 HG21 THR A 31 -0.526 1.455 -10.366 1.00 2.14 H new ATOM 0 HG22 THR A 31 0.017 1.907 -8.733 1.00 2.14 H new ATOM 0 HG23 THR A 31 0.122 3.084 -10.063 1.00 2.14 H new ATOM 507 N VAL A 32 4.545 0.889 -8.510 1.00 22.23 N ATOM 508 CA VAL A 32 5.809 0.112 -8.524 1.00 5.25 C ATOM 509 C VAL A 32 5.542 -1.244 -7.851 1.00 53.42 C ATOM 510 O VAL A 32 5.158 -1.281 -6.682 1.00 23.21 O ATOM 511 CB VAL A 32 6.998 0.852 -7.761 1.00 62.14 C ATOM 512 CG1 VAL A 32 8.305 0.008 -7.777 1.00 24.22 C ATOM 513 CG2 VAL A 32 7.252 2.277 -8.330 1.00 15.34 C ATOM 0 H VAL A 32 4.034 0.810 -7.631 1.00 22.23 H new ATOM 0 HA VAL A 32 6.123 -0.006 -9.561 1.00 5.25 H new ATOM 0 HB VAL A 32 6.685 0.962 -6.723 1.00 62.14 H new ATOM 0 HG11 VAL A 32 9.092 0.545 -7.248 1.00 24.22 H new ATOM 0 HG12 VAL A 32 8.126 -0.949 -7.287 1.00 24.22 H new ATOM 0 HG13 VAL A 32 8.614 -0.165 -8.808 1.00 24.22 H new ATOM 0 HG21 VAL A 32 8.069 2.747 -7.783 1.00 15.34 H new ATOM 0 HG22 VAL A 32 7.515 2.206 -9.385 1.00 15.34 H new ATOM 0 HG23 VAL A 32 6.350 2.878 -8.221 1.00 15.34 H new ATOM 523 N ARG A 33 5.747 -2.354 -8.586 1.00 3.21 N ATOM 524 CA ARG A 33 5.571 -3.716 -8.046 1.00 20.33 C ATOM 525 C ARG A 33 6.965 -4.328 -7.814 1.00 61.14 C ATOM 526 O ARG A 33 7.599 -4.842 -8.740 1.00 41.52 O ATOM 527 CB ARG A 33 4.696 -4.600 -8.985 1.00 73.44 C ATOM 528 CG ARG A 33 4.480 -6.047 -8.474 1.00 22.44 C ATOM 529 CD ARG A 33 3.533 -6.862 -9.369 1.00 22.52 C ATOM 530 NE ARG A 33 4.021 -6.962 -10.753 1.00 22.34 N ATOM 531 CZ ARG A 33 3.263 -7.250 -11.821 1.00 42.05 C ATOM 532 NH1 ARG A 33 1.955 -7.466 -11.695 1.00 63.33 N ATOM 533 NH2 ARG A 33 3.820 -7.310 -13.020 1.00 51.25 N ATOM 0 H ARG A 33 6.037 -2.333 -9.564 1.00 3.21 H new ATOM 0 HA ARG A 33 5.035 -3.668 -7.098 1.00 20.33 H new ATOM 0 HB2 ARG A 33 3.724 -4.123 -9.113 1.00 73.44 H new ATOM 0 HB3 ARG A 33 5.164 -4.640 -9.969 1.00 73.44 H new ATOM 0 HG2 ARG A 33 5.443 -6.554 -8.416 1.00 22.44 H new ATOM 0 HG3 ARG A 33 4.076 -6.013 -7.462 1.00 22.44 H new ATOM 0 HD2 ARG A 33 3.416 -7.863 -8.954 1.00 22.52 H new ATOM 0 HD3 ARG A 33 2.546 -6.399 -9.367 1.00 22.52 H new ATOM 0 HE ARG A 33 5.015 -6.799 -10.913 1.00 22.34 H new ATOM 0 HH11 ARG A 33 1.516 -7.413 -10.776 1.00 63.33 H new ATOM 0 HH12 ARG A 33 1.393 -7.684 -12.518 1.00 63.33 H new ATOM 0 HH21 ARG A 33 4.820 -7.138 -13.127 1.00 51.25 H new ATOM 0 HH22 ARG A 33 3.250 -7.529 -13.837 1.00 51.25 H new ATOM 547 N THR A 34 7.451 -4.190 -6.575 1.00 33.34 N ATOM 548 CA THR A 34 8.788 -4.655 -6.152 1.00 74.43 C ATOM 549 C THR A 34 8.657 -5.682 -5.006 1.00 1.42 C ATOM 550 O THR A 34 7.587 -5.832 -4.420 1.00 65.21 O ATOM 551 CB THR A 34 9.667 -3.425 -5.710 1.00 41.40 C ATOM 552 OG1 THR A 34 10.984 -3.854 -5.315 1.00 73.54 O ATOM 553 CG2 THR A 34 9.019 -2.616 -4.566 1.00 2.33 C ATOM 0 H THR A 34 6.923 -3.747 -5.823 1.00 33.34 H new ATOM 0 HA THR A 34 9.280 -5.146 -6.991 1.00 74.43 H new ATOM 0 HB THR A 34 9.742 -2.770 -6.578 1.00 41.40 H new ATOM 0 HG1 THR A 34 11.601 -3.094 -5.354 1.00 73.54 H new ATOM 0 HG21 THR A 34 9.666 -1.780 -4.300 1.00 2.33 H new ATOM 0 HG22 THR A 34 8.051 -2.236 -4.892 1.00 2.33 H new ATOM 0 HG23 THR A 34 8.882 -3.260 -3.697 1.00 2.33 H new ATOM 561 N ASP A 35 9.749 -6.400 -4.712 1.00 21.23 N ATOM 562 CA ASP A 35 9.849 -7.288 -3.529 1.00 23.44 C ATOM 563 C ASP A 35 11.039 -6.856 -2.640 1.00 3.42 C ATOM 564 O ASP A 35 11.363 -7.519 -1.650 1.00 23.20 O ATOM 565 CB ASP A 35 9.953 -8.779 -3.968 1.00 74.34 C ATOM 566 CG ASP A 35 11.138 -9.065 -4.908 1.00 43.54 C ATOM 567 OD1 ASP A 35 12.192 -9.544 -4.439 1.00 2.42 O ATOM 568 OD2 ASP A 35 11.012 -8.820 -6.130 1.00 42.21 O ATOM 0 H ASP A 35 10.593 -6.387 -5.284 1.00 21.23 H new ATOM 0 HA ASP A 35 8.941 -7.195 -2.933 1.00 23.44 H new ATOM 0 HB2 ASP A 35 10.046 -9.405 -3.080 1.00 74.34 H new ATOM 0 HB3 ASP A 35 9.027 -9.067 -4.466 1.00 74.34 H new ATOM 573 N ASP A 36 11.662 -5.716 -3.002 1.00 62.54 N ATOM 574 CA ASP A 36 12.729 -5.072 -2.218 1.00 50.41 C ATOM 575 C ASP A 36 12.112 -3.900 -1.435 1.00 43.03 C ATOM 576 O ASP A 36 11.658 -2.923 -2.045 1.00 0.41 O ATOM 577 CB ASP A 36 13.848 -4.540 -3.156 1.00 1.10 C ATOM 578 CG ASP A 36 14.619 -5.652 -3.884 1.00 2.42 C ATOM 579 OD1 ASP A 36 15.756 -5.976 -3.472 1.00 41.00 O ATOM 580 OD2 ASP A 36 14.093 -6.209 -4.879 1.00 63.01 O ATOM 0 H ASP A 36 11.433 -5.212 -3.859 1.00 62.54 H new ATOM 0 HA ASP A 36 13.171 -5.798 -1.535 1.00 50.41 H new ATOM 0 HB2 ASP A 36 13.405 -3.873 -3.895 1.00 1.10 H new ATOM 0 HB3 ASP A 36 14.550 -3.946 -2.571 1.00 1.10 H new ATOM 585 N LYS A 37 12.096 -4.005 -0.092 1.00 41.20 N ATOM 586 CA LYS A 37 11.489 -2.978 0.777 1.00 51.15 C ATOM 587 C LYS A 37 12.373 -1.712 0.864 1.00 60.25 C ATOM 588 O LYS A 37 11.890 -0.626 1.222 1.00 22.45 O ATOM 589 CB LYS A 37 11.172 -3.556 2.189 1.00 75.13 C ATOM 590 CG LYS A 37 12.331 -3.596 3.198 1.00 10.00 C ATOM 591 CD LYS A 37 11.889 -4.177 4.565 1.00 43.51 C ATOM 592 CE LYS A 37 12.777 -3.722 5.727 1.00 12.50 C ATOM 593 NZ LYS A 37 14.207 -4.076 5.554 1.00 53.22 N ATOM 0 H LYS A 37 12.498 -4.793 0.416 1.00 41.20 H new ATOM 0 HA LYS A 37 10.544 -2.677 0.324 1.00 51.15 H new ATOM 0 HB2 LYS A 37 10.364 -2.968 2.623 1.00 75.13 H new ATOM 0 HB3 LYS A 37 10.795 -4.571 2.064 1.00 75.13 H new ATOM 0 HG2 LYS A 37 13.144 -4.199 2.793 1.00 10.00 H new ATOM 0 HG3 LYS A 37 12.722 -2.589 3.341 1.00 10.00 H new ATOM 0 HD2 LYS A 37 10.860 -3.879 4.764 1.00 43.51 H new ATOM 0 HD3 LYS A 37 11.901 -5.266 4.511 1.00 43.51 H new ATOM 0 HE2 LYS A 37 12.690 -2.641 5.839 1.00 12.50 H new ATOM 0 HE3 LYS A 37 12.410 -4.169 6.651 1.00 12.50 H new ATOM 0 HZ1 LYS A 37 14.687 -4.040 6.476 1.00 53.22 H new ATOM 0 HZ2 LYS A 37 14.282 -5.036 5.161 1.00 53.22 H new ATOM 0 HZ3 LYS A 37 14.656 -3.400 4.903 1.00 53.22 H new ATOM 607 N GLU A 38 13.671 -1.867 0.525 1.00 60.24 N ATOM 608 CA GLU A 38 14.629 -0.746 0.448 1.00 21.14 C ATOM 609 C GLU A 38 14.401 0.069 -0.844 1.00 32.11 C ATOM 610 O GLU A 38 14.559 1.298 -0.850 1.00 53.33 O ATOM 611 CB GLU A 38 16.090 -1.275 0.515 1.00 42.31 C ATOM 612 CG GLU A 38 16.397 -2.201 1.717 1.00 40.12 C ATOM 613 CD GLU A 38 16.106 -1.575 3.092 1.00 3.50 C ATOM 614 OE1 GLU A 38 16.886 -0.716 3.551 1.00 53.10 O ATOM 615 OE2 GLU A 38 15.106 -1.951 3.737 1.00 54.52 O ATOM 0 H GLU A 38 14.083 -2.772 0.298 1.00 60.24 H new ATOM 0 HA GLU A 38 14.464 -0.088 1.301 1.00 21.14 H new ATOM 0 HB2 GLU A 38 16.307 -1.816 -0.406 1.00 42.31 H new ATOM 0 HB3 GLU A 38 16.768 -0.422 0.550 1.00 42.31 H new ATOM 0 HG2 GLU A 38 15.811 -3.114 1.616 1.00 40.12 H new ATOM 0 HG3 GLU A 38 17.447 -2.491 1.678 1.00 40.12 H new ATOM 622 N LYS A 39 14.007 -0.639 -1.932 1.00 61.04 N ATOM 623 CA LYS A 39 13.651 -0.012 -3.227 1.00 53.35 C ATOM 624 C LYS A 39 12.433 0.911 -3.062 1.00 3.22 C ATOM 625 O LYS A 39 12.386 2.002 -3.647 1.00 60.33 O ATOM 626 CB LYS A 39 13.349 -1.096 -4.301 1.00 51.33 C ATOM 627 CG LYS A 39 13.005 -0.550 -5.712 1.00 51.52 C ATOM 628 CD LYS A 39 14.185 0.220 -6.352 1.00 34.52 C ATOM 629 CE LYS A 39 13.844 0.804 -7.729 1.00 33.55 C ATOM 630 NZ LYS A 39 15.024 1.468 -8.346 1.00 61.52 N ATOM 0 H LYS A 39 13.928 -1.656 -1.935 1.00 61.04 H new ATOM 0 HA LYS A 39 14.503 0.581 -3.559 1.00 53.35 H new ATOM 0 HB2 LYS A 39 14.215 -1.753 -4.384 1.00 51.33 H new ATOM 0 HB3 LYS A 39 12.517 -1.708 -3.953 1.00 51.33 H new ATOM 0 HG2 LYS A 39 12.722 -1.379 -6.360 1.00 51.52 H new ATOM 0 HG3 LYS A 39 12.140 0.109 -5.642 1.00 51.52 H new ATOM 0 HD2 LYS A 39 14.488 1.028 -5.686 1.00 34.52 H new ATOM 0 HD3 LYS A 39 15.039 -0.450 -6.449 1.00 34.52 H new ATOM 0 HE2 LYS A 39 13.488 0.009 -8.385 1.00 33.55 H new ATOM 0 HE3 LYS A 39 13.031 1.523 -7.629 1.00 33.55 H new ATOM 0 HZ1 LYS A 39 14.760 1.852 -9.276 1.00 61.52 H new ATOM 0 HZ2 LYS A 39 15.348 2.242 -7.731 1.00 61.52 H new ATOM 0 HZ3 LYS A 39 15.791 0.775 -8.463 1.00 61.52 H new ATOM 644 N VAL A 40 11.470 0.453 -2.233 1.00 51.42 N ATOM 645 CA VAL A 40 10.257 1.214 -1.892 1.00 64.31 C ATOM 646 C VAL A 40 10.629 2.609 -1.352 1.00 11.05 C ATOM 647 O VAL A 40 10.070 3.600 -1.785 1.00 41.42 O ATOM 648 CB VAL A 40 9.375 0.460 -0.823 1.00 21.23 C ATOM 649 CG1 VAL A 40 8.070 1.229 -0.521 1.00 33.44 C ATOM 650 CG2 VAL A 40 9.071 -0.991 -1.262 1.00 44.54 C ATOM 0 H VAL A 40 11.516 -0.460 -1.781 1.00 51.42 H new ATOM 0 HA VAL A 40 9.675 1.317 -2.808 1.00 64.31 H new ATOM 0 HB VAL A 40 9.955 0.415 0.098 1.00 21.23 H new ATOM 0 HG11 VAL A 40 7.487 0.681 0.219 1.00 33.44 H new ATOM 0 HG12 VAL A 40 8.312 2.218 -0.132 1.00 33.44 H new ATOM 0 HG13 VAL A 40 7.488 1.332 -1.437 1.00 33.44 H new ATOM 0 HG21 VAL A 40 8.462 -1.481 -0.502 1.00 44.54 H new ATOM 0 HG22 VAL A 40 8.531 -0.979 -2.209 1.00 44.54 H new ATOM 0 HG23 VAL A 40 10.006 -1.537 -1.385 1.00 44.54 H new ATOM 660 N LYS A 41 11.637 2.647 -0.456 1.00 50.44 N ATOM 661 CA LYS A 41 12.102 3.882 0.227 1.00 2.12 C ATOM 662 C LYS A 41 12.676 4.908 -0.763 1.00 15.12 C ATOM 663 O LYS A 41 12.487 6.122 -0.599 1.00 54.55 O ATOM 664 CB LYS A 41 13.150 3.511 1.302 1.00 42.23 C ATOM 665 CG LYS A 41 12.609 2.531 2.359 1.00 62.44 C ATOM 666 CD LYS A 41 13.712 2.004 3.295 1.00 34.24 C ATOM 667 CE LYS A 41 13.174 0.949 4.264 1.00 34.40 C ATOM 668 NZ LYS A 41 14.240 0.409 5.143 1.00 5.41 N ATOM 0 H LYS A 41 12.159 1.815 -0.181 1.00 50.44 H new ATOM 0 HA LYS A 41 11.242 4.352 0.703 1.00 2.12 H new ATOM 0 HB2 LYS A 41 14.019 3.068 0.816 1.00 42.23 H new ATOM 0 HB3 LYS A 41 13.490 4.420 1.798 1.00 42.23 H new ATOM 0 HG2 LYS A 41 11.841 3.029 2.952 1.00 62.44 H new ATOM 0 HG3 LYS A 41 12.130 1.690 1.858 1.00 62.44 H new ATOM 0 HD2 LYS A 41 14.519 1.575 2.701 1.00 34.24 H new ATOM 0 HD3 LYS A 41 14.138 2.834 3.860 1.00 34.24 H new ATOM 0 HE2 LYS A 41 12.386 1.387 4.877 1.00 34.40 H new ATOM 0 HE3 LYS A 41 12.722 0.134 3.699 1.00 34.40 H new ATOM 0 HZ1 LYS A 41 13.834 0.158 6.067 1.00 5.41 H new ATOM 0 HZ2 LYS A 41 14.655 -0.438 4.705 1.00 5.41 H new ATOM 0 HZ3 LYS A 41 14.980 1.128 5.274 1.00 5.41 H new ATOM 682 N GLU A 42 13.357 4.395 -1.799 1.00 50.04 N ATOM 683 CA GLU A 42 13.869 5.213 -2.910 1.00 73.23 C ATOM 684 C GLU A 42 12.701 5.832 -3.713 1.00 43.21 C ATOM 685 O GLU A 42 12.754 7.003 -4.108 1.00 22.43 O ATOM 686 CB GLU A 42 14.783 4.352 -3.822 1.00 31.15 C ATOM 687 CG GLU A 42 16.125 3.948 -3.180 1.00 51.32 C ATOM 688 CD GLU A 42 17.016 5.158 -2.836 1.00 65.21 C ATOM 689 OE1 GLU A 42 17.453 5.871 -3.773 1.00 40.10 O ATOM 690 OE2 GLU A 42 17.291 5.405 -1.636 1.00 54.44 O ATOM 0 H GLU A 42 13.568 3.401 -1.890 1.00 50.04 H new ATOM 0 HA GLU A 42 14.462 6.033 -2.504 1.00 73.23 H new ATOM 0 HB2 GLU A 42 14.244 3.448 -4.107 1.00 31.15 H new ATOM 0 HB3 GLU A 42 14.985 4.905 -4.739 1.00 31.15 H new ATOM 0 HG2 GLU A 42 15.930 3.377 -2.272 1.00 51.32 H new ATOM 0 HG3 GLU A 42 16.664 3.289 -3.861 1.00 51.32 H new ATOM 697 N GLU A 43 11.640 5.032 -3.920 1.00 42.34 N ATOM 698 CA GLU A 43 10.416 5.463 -4.634 1.00 12.14 C ATOM 699 C GLU A 43 9.538 6.409 -3.768 1.00 12.43 C ATOM 700 O GLU A 43 8.802 7.258 -4.304 1.00 31.43 O ATOM 701 CB GLU A 43 9.613 4.215 -5.079 1.00 3.10 C ATOM 702 CG GLU A 43 10.399 3.243 -5.983 1.00 3.11 C ATOM 703 CD GLU A 43 10.957 3.910 -7.254 1.00 51.21 C ATOM 704 OE1 GLU A 43 12.199 4.014 -7.405 1.00 73.02 O ATOM 705 OE2 GLU A 43 10.152 4.365 -8.097 1.00 72.15 O ATOM 0 H GLU A 43 11.603 4.065 -3.598 1.00 42.34 H new ATOM 0 HA GLU A 43 10.716 6.033 -5.513 1.00 12.14 H new ATOM 0 HB2 GLU A 43 9.279 3.677 -4.192 1.00 3.10 H new ATOM 0 HB3 GLU A 43 8.719 4.543 -5.609 1.00 3.10 H new ATOM 0 HG2 GLU A 43 11.224 2.815 -5.414 1.00 3.11 H new ATOM 0 HG3 GLU A 43 9.748 2.418 -6.270 1.00 3.11 H new ATOM 712 N ILE A 44 9.654 6.254 -2.429 1.00 74.04 N ATOM 713 CA ILE A 44 8.940 7.071 -1.424 1.00 51.52 C ATOM 714 C ILE A 44 9.388 8.536 -1.526 1.00 3.35 C ATOM 715 O ILE A 44 8.555 9.438 -1.571 1.00 53.41 O ATOM 716 CB ILE A 44 9.184 6.503 0.046 1.00 13.42 C ATOM 717 CG1 ILE A 44 8.366 5.187 0.274 1.00 33.34 C ATOM 718 CG2 ILE A 44 8.876 7.543 1.151 1.00 62.05 C ATOM 719 CD1 ILE A 44 8.534 4.538 1.639 1.00 15.14 C ATOM 0 H ILE A 44 10.257 5.545 -2.011 1.00 74.04 H new ATOM 0 HA ILE A 44 7.870 7.018 -1.627 1.00 51.52 H new ATOM 0 HB ILE A 44 10.247 6.275 0.122 1.00 13.42 H new ATOM 0 HG12 ILE A 44 7.309 5.407 0.123 1.00 33.34 H new ATOM 0 HG13 ILE A 44 8.653 4.465 -0.490 1.00 33.34 H new ATOM 0 HG21 ILE A 44 9.060 7.100 2.130 1.00 62.05 H new ATOM 0 HG22 ILE A 44 9.518 8.414 1.020 1.00 62.05 H new ATOM 0 HG23 ILE A 44 7.832 7.849 1.082 1.00 62.05 H new ATOM 0 HD11 ILE A 44 7.925 3.635 1.690 1.00 15.14 H new ATOM 0 HD12 ILE A 44 9.581 4.278 1.792 1.00 15.14 H new ATOM 0 HD13 ILE A 44 8.216 5.235 2.415 1.00 15.14 H new ATOM 731 N GLU A 45 10.718 8.735 -1.606 1.00 63.11 N ATOM 732 CA GLU A 45 11.341 10.075 -1.700 1.00 3.45 C ATOM 733 C GLU A 45 10.938 10.823 -2.992 1.00 41.54 C ATOM 734 O GLU A 45 10.876 12.060 -3.007 1.00 25.24 O ATOM 735 CB GLU A 45 12.881 9.951 -1.592 1.00 21.51 C ATOM 736 CG GLU A 45 13.382 9.420 -0.231 1.00 31.10 C ATOM 737 CD GLU A 45 12.985 10.320 0.953 1.00 23.41 C ATOM 738 OE1 GLU A 45 12.042 9.971 1.704 1.00 20.44 O ATOM 739 OE2 GLU A 45 13.610 11.392 1.129 1.00 34.33 O ATOM 0 H GLU A 45 11.394 7.971 -1.607 1.00 63.11 H new ATOM 0 HA GLU A 45 10.969 10.670 -0.866 1.00 3.45 H new ATOM 0 HB2 GLU A 45 13.237 9.288 -2.381 1.00 21.51 H new ATOM 0 HB3 GLU A 45 13.326 10.929 -1.773 1.00 21.51 H new ATOM 0 HG2 GLU A 45 12.982 8.419 -0.069 1.00 31.10 H new ATOM 0 HG3 GLU A 45 14.468 9.328 -0.261 1.00 31.10 H new ATOM 746 N LYS A 46 10.650 10.058 -4.060 1.00 25.11 N ATOM 747 CA LYS A 46 10.189 10.602 -5.355 1.00 5.31 C ATOM 748 C LYS A 46 8.760 11.154 -5.214 1.00 33.41 C ATOM 749 O LYS A 46 8.508 12.321 -5.522 1.00 20.11 O ATOM 750 CB LYS A 46 10.265 9.490 -6.442 1.00 64.51 C ATOM 751 CG LYS A 46 11.699 8.948 -6.670 1.00 21.44 C ATOM 752 CD LYS A 46 11.741 7.675 -7.545 1.00 44.42 C ATOM 753 CE LYS A 46 11.322 7.904 -8.995 1.00 72.12 C ATOM 754 NZ LYS A 46 11.299 6.626 -9.756 1.00 61.32 N ATOM 0 H LYS A 46 10.730 9.041 -4.052 1.00 25.11 H new ATOM 0 HA LYS A 46 10.835 11.425 -5.661 1.00 5.31 H new ATOM 0 HB2 LYS A 46 9.615 8.665 -6.153 1.00 64.51 H new ATOM 0 HB3 LYS A 46 9.880 9.885 -7.382 1.00 64.51 H new ATOM 0 HG2 LYS A 46 12.302 9.724 -7.141 1.00 21.44 H new ATOM 0 HG3 LYS A 46 12.156 8.732 -5.704 1.00 21.44 H new ATOM 0 HD2 LYS A 46 12.753 7.269 -7.530 1.00 44.42 H new ATOM 0 HD3 LYS A 46 11.089 6.922 -7.104 1.00 44.42 H new ATOM 0 HE2 LYS A 46 10.335 8.365 -9.023 1.00 72.12 H new ATOM 0 HE3 LYS A 46 12.012 8.601 -9.470 1.00 72.12 H new ATOM 0 HZ1 LYS A 46 10.693 6.732 -10.595 1.00 61.32 H new ATOM 0 HZ2 LYS A 46 12.265 6.383 -10.055 1.00 61.32 H new ATOM 0 HZ3 LYS A 46 10.923 5.868 -9.151 1.00 61.32 H new ATOM 768 N ALA A 47 7.845 10.322 -4.677 1.00 75.11 N ATOM 769 CA ALA A 47 6.431 10.719 -4.451 1.00 63.05 C ATOM 770 C ALA A 47 6.306 11.815 -3.365 1.00 42.11 C ATOM 771 O ALA A 47 5.371 12.617 -3.386 1.00 44.04 O ATOM 772 CB ALA A 47 5.592 9.490 -4.081 1.00 2.35 C ATOM 0 H ALA A 47 8.056 9.367 -4.389 1.00 75.11 H new ATOM 0 HA ALA A 47 6.051 11.143 -5.380 1.00 63.05 H new ATOM 0 HB1 ALA A 47 4.557 9.792 -3.917 1.00 2.35 H new ATOM 0 HB2 ALA A 47 5.634 8.763 -4.892 1.00 2.35 H new ATOM 0 HB3 ALA A 47 5.987 9.040 -3.170 1.00 2.35 H new ATOM 778 N ARG A 48 7.278 11.824 -2.433 1.00 44.14 N ATOM 779 CA ARG A 48 7.377 12.785 -1.313 1.00 12.41 C ATOM 780 C ARG A 48 7.512 14.232 -1.807 1.00 41.21 C ATOM 781 O ARG A 48 6.708 15.101 -1.435 1.00 12.33 O ATOM 782 CB ARG A 48 8.598 12.393 -0.433 1.00 33.04 C ATOM 783 CG ARG A 48 8.952 13.356 0.721 1.00 64.33 C ATOM 784 CD ARG A 48 10.079 12.802 1.614 1.00 60.42 C ATOM 785 NE ARG A 48 10.463 13.745 2.675 1.00 33.42 N ATOM 786 CZ ARG A 48 11.470 13.553 3.537 1.00 23.14 C ATOM 787 NH1 ARG A 48 12.210 12.450 3.478 1.00 44.23 N ATOM 788 NH2 ARG A 48 11.744 14.479 4.447 1.00 41.30 N ATOM 0 H ARG A 48 8.039 11.144 -2.437 1.00 44.14 H new ATOM 0 HA ARG A 48 6.458 12.738 -0.728 1.00 12.41 H new ATOM 0 HB2 ARG A 48 8.410 11.407 -0.009 1.00 33.04 H new ATOM 0 HB3 ARG A 48 9.470 12.301 -1.081 1.00 33.04 H new ATOM 0 HG2 ARG A 48 9.256 14.318 0.309 1.00 64.33 H new ATOM 0 HG3 ARG A 48 8.064 13.536 1.328 1.00 64.33 H new ATOM 0 HD2 ARG A 48 9.755 11.864 2.064 1.00 60.42 H new ATOM 0 HD3 ARG A 48 10.950 12.576 0.999 1.00 60.42 H new ATOM 0 HE ARG A 48 9.924 14.607 2.761 1.00 33.42 H new ATOM 0 HH11 ARG A 48 12.013 11.741 2.772 1.00 44.23 H new ATOM 0 HH12 ARG A 48 12.975 12.313 4.139 1.00 44.23 H new ATOM 0 HH21 ARG A 48 11.189 15.333 4.488 1.00 41.30 H new ATOM 0 HH22 ARG A 48 12.510 14.336 5.105 1.00 41.30 H new ATOM 802 N LYS A 49 8.531 14.471 -2.662 1.00 62.51 N ATOM 803 CA LYS A 49 8.839 15.818 -3.187 1.00 61.32 C ATOM 804 C LYS A 49 7.750 16.303 -4.164 1.00 43.41 C ATOM 805 O LYS A 49 7.481 17.504 -4.264 1.00 62.23 O ATOM 806 CB LYS A 49 10.231 15.845 -3.871 1.00 24.33 C ATOM 807 CG LYS A 49 10.395 14.914 -5.096 1.00 51.11 C ATOM 808 CD LYS A 49 11.739 15.136 -5.836 1.00 32.32 C ATOM 809 CE LYS A 49 11.866 16.559 -6.414 1.00 25.30 C ATOM 810 NZ LYS A 49 13.205 16.804 -7.018 1.00 53.31 N ATOM 0 H LYS A 49 9.157 13.742 -3.004 1.00 62.51 H new ATOM 0 HA LYS A 49 8.860 16.501 -2.338 1.00 61.32 H new ATOM 0 HB2 LYS A 49 10.442 16.868 -4.184 1.00 24.33 H new ATOM 0 HB3 LYS A 49 10.985 15.577 -3.130 1.00 24.33 H new ATOM 0 HG2 LYS A 49 10.331 13.876 -4.770 1.00 51.11 H new ATOM 0 HG3 LYS A 49 9.571 15.082 -5.789 1.00 51.11 H new ATOM 0 HD2 LYS A 49 12.564 14.952 -5.148 1.00 32.32 H new ATOM 0 HD3 LYS A 49 11.830 14.410 -6.644 1.00 32.32 H new ATOM 0 HE2 LYS A 49 11.095 16.713 -7.169 1.00 25.30 H new ATOM 0 HE3 LYS A 49 11.687 17.288 -5.623 1.00 25.30 H new ATOM 0 HZ1 LYS A 49 13.244 17.773 -7.394 1.00 53.31 H new ATOM 0 HZ2 LYS A 49 13.940 16.684 -6.292 1.00 53.31 H new ATOM 0 HZ3 LYS A 49 13.367 16.127 -7.790 1.00 53.31 H new ATOM 824 N GLN A 50 7.132 15.340 -4.867 1.00 33.33 N ATOM 825 CA GLN A 50 5.992 15.592 -5.763 1.00 2.02 C ATOM 826 C GLN A 50 4.721 15.895 -4.952 1.00 73.43 C ATOM 827 O GLN A 50 3.813 16.585 -5.431 1.00 54.40 O ATOM 828 CB GLN A 50 5.765 14.368 -6.678 1.00 44.02 C ATOM 829 CG GLN A 50 6.924 14.078 -7.637 1.00 21.15 C ATOM 830 CD GLN A 50 6.634 12.933 -8.603 1.00 71.25 C ATOM 831 OE1 GLN A 50 6.898 11.766 -8.310 1.00 10.10 O ATOM 832 NE2 GLN A 50 6.068 13.259 -9.758 1.00 22.23 N ATOM 0 H GLN A 50 7.411 14.360 -4.829 1.00 33.33 H new ATOM 0 HA GLN A 50 6.218 16.462 -6.380 1.00 2.02 H new ATOM 0 HB2 GLN A 50 5.595 13.490 -6.055 1.00 44.02 H new ATOM 0 HB3 GLN A 50 4.857 14.527 -7.260 1.00 44.02 H new ATOM 0 HG2 GLN A 50 7.148 14.979 -8.208 1.00 21.15 H new ATOM 0 HG3 GLN A 50 7.815 13.838 -7.057 1.00 21.15 H new ATOM 0 HE21 GLN A 50 5.863 14.236 -9.968 1.00 22.23 H new ATOM 0 HE22 GLN A 50 5.838 12.533 -10.436 1.00 22.23 H new ATOM 841 N GLY A 51 4.680 15.360 -3.721 1.00 34.12 N ATOM 842 CA GLY A 51 3.530 15.486 -2.839 1.00 62.42 C ATOM 843 C GLY A 51 2.369 14.591 -3.235 1.00 50.32 C ATOM 844 O GLY A 51 1.288 14.722 -2.677 1.00 35.31 O ATOM 0 H GLY A 51 5.451 14.828 -3.317 1.00 34.12 H new ATOM 0 HA2 GLY A 51 3.834 15.246 -1.820 1.00 62.42 H new ATOM 0 HA3 GLY A 51 3.195 16.523 -2.835 1.00 62.42 H new ATOM 848 N ARG A 52 2.616 13.656 -4.168 1.00 52.13 N ATOM 849 CA ARG A 52 1.580 12.764 -4.732 1.00 41.34 C ATOM 850 C ARG A 52 1.616 11.384 -4.030 1.00 2.23 C ATOM 851 O ARG A 52 2.610 11.050 -3.362 1.00 11.31 O ATOM 852 CB ARG A 52 1.795 12.589 -6.268 1.00 63.23 C ATOM 853 CG ARG A 52 3.071 11.808 -6.674 1.00 33.42 C ATOM 854 CD ARG A 52 3.137 11.534 -8.188 1.00 72.32 C ATOM 855 NE ARG A 52 3.102 12.775 -8.983 1.00 0.33 N ATOM 856 CZ ARG A 52 2.805 12.853 -10.291 1.00 64.21 C ATOM 857 NH1 ARG A 52 2.510 11.764 -10.994 1.00 13.01 N ATOM 858 NH2 ARG A 52 2.803 14.034 -10.890 1.00 1.43 N ATOM 0 H ARG A 52 3.545 13.494 -4.557 1.00 52.13 H new ATOM 0 HA ARG A 52 0.603 13.217 -4.563 1.00 41.34 H new ATOM 0 HB2 ARG A 52 0.928 12.076 -6.683 1.00 63.23 H new ATOM 0 HB3 ARG A 52 1.832 13.577 -6.728 1.00 63.23 H new ATOM 0 HG2 ARG A 52 3.952 12.375 -6.372 1.00 33.42 H new ATOM 0 HG3 ARG A 52 3.101 10.861 -6.135 1.00 33.42 H new ATOM 0 HD2 ARG A 52 4.050 10.985 -8.416 1.00 72.32 H new ATOM 0 HD3 ARG A 52 2.301 10.897 -8.476 1.00 72.32 H new ATOM 0 HE ARG A 52 3.321 13.646 -8.500 1.00 0.33 H new ATOM 0 HH11 ARG A 52 2.507 10.850 -10.541 1.00 13.01 H new ATOM 0 HH12 ARG A 52 2.287 11.842 -11.986 1.00 13.01 H new ATOM 0 HH21 ARG A 52 3.026 14.876 -10.359 1.00 1.43 H new ATOM 0 HH22 ARG A 52 2.579 14.102 -11.883 1.00 1.43 H new ATOM 872 N PRO A 53 0.520 10.569 -4.136 1.00 54.45 N ATOM 873 CA PRO A 53 0.569 9.152 -3.734 1.00 13.11 C ATOM 874 C PRO A 53 1.435 8.277 -4.663 1.00 41.23 C ATOM 875 O PRO A 53 1.745 8.643 -5.809 1.00 73.04 O ATOM 876 CB PRO A 53 -0.910 8.697 -3.774 1.00 53.44 C ATOM 877 CG PRO A 53 -1.600 9.667 -4.687 1.00 1.35 C ATOM 878 CD PRO A 53 -0.856 10.981 -4.557 1.00 22.21 C ATOM 0 HA PRO A 53 1.034 9.043 -2.754 1.00 13.11 H new ATOM 0 HB2 PRO A 53 -0.997 7.676 -4.147 1.00 53.44 H new ATOM 0 HB3 PRO A 53 -1.353 8.712 -2.778 1.00 53.44 H new ATOM 0 HG2 PRO A 53 -1.582 9.311 -5.717 1.00 1.35 H new ATOM 0 HG3 PRO A 53 -2.647 9.785 -4.409 1.00 1.35 H new ATOM 0 HD2 PRO A 53 -0.840 11.527 -5.500 1.00 22.21 H new ATOM 0 HD3 PRO A 53 -1.322 11.634 -3.819 1.00 22.21 H new ATOM 886 N ILE A 54 1.800 7.108 -4.132 1.00 73.31 N ATOM 887 CA ILE A 54 2.439 6.027 -4.875 1.00 13.01 C ATOM 888 C ILE A 54 1.894 4.705 -4.309 1.00 13.55 C ATOM 889 O ILE A 54 1.747 4.562 -3.095 1.00 42.51 O ATOM 890 CB ILE A 54 4.014 6.106 -4.777 1.00 72.34 C ATOM 891 CG1 ILE A 54 4.686 5.037 -5.691 1.00 73.34 C ATOM 892 CG2 ILE A 54 4.518 5.990 -3.311 1.00 35.40 C ATOM 893 CD1 ILE A 54 6.191 5.172 -5.811 1.00 61.15 C ATOM 0 H ILE A 54 1.654 6.884 -3.148 1.00 73.31 H new ATOM 0 HA ILE A 54 2.208 6.105 -5.937 1.00 13.01 H new ATOM 0 HB ILE A 54 4.308 7.092 -5.136 1.00 72.34 H new ATOM 0 HG12 ILE A 54 4.452 4.046 -5.302 1.00 73.34 H new ATOM 0 HG13 ILE A 54 4.247 5.101 -6.687 1.00 73.34 H new ATOM 0 HG21 ILE A 54 5.606 6.050 -3.295 1.00 35.40 H new ATOM 0 HG22 ILE A 54 4.101 6.804 -2.717 1.00 35.40 H new ATOM 0 HG23 ILE A 54 4.201 5.035 -2.892 1.00 35.40 H new ATOM 0 HD11 ILE A 54 6.576 4.389 -6.465 1.00 61.15 H new ATOM 0 HD12 ILE A 54 6.436 6.148 -6.230 1.00 61.15 H new ATOM 0 HD13 ILE A 54 6.645 5.077 -4.825 1.00 61.15 H new ATOM 905 N VAL A 55 1.543 3.764 -5.190 1.00 63.30 N ATOM 906 CA VAL A 55 0.964 2.475 -4.796 1.00 61.33 C ATOM 907 C VAL A 55 2.009 1.385 -5.060 1.00 32.14 C ATOM 908 O VAL A 55 2.336 1.070 -6.213 1.00 54.45 O ATOM 909 CB VAL A 55 -0.389 2.164 -5.545 1.00 74.32 C ATOM 910 CG1 VAL A 55 -1.071 0.915 -4.949 1.00 43.23 C ATOM 911 CG2 VAL A 55 -1.342 3.380 -5.502 1.00 10.41 C ATOM 0 H VAL A 55 1.652 3.874 -6.198 1.00 63.30 H new ATOM 0 HA VAL A 55 0.711 2.509 -3.736 1.00 61.33 H new ATOM 0 HB VAL A 55 -0.153 1.959 -6.589 1.00 74.32 H new ATOM 0 HG11 VAL A 55 -2.002 0.720 -5.481 1.00 43.23 H new ATOM 0 HG12 VAL A 55 -0.408 0.055 -5.050 1.00 43.23 H new ATOM 0 HG13 VAL A 55 -1.285 1.086 -3.894 1.00 43.23 H new ATOM 0 HG21 VAL A 55 -2.266 3.137 -6.026 1.00 10.41 H new ATOM 0 HG22 VAL A 55 -1.568 3.629 -4.465 1.00 10.41 H new ATOM 0 HG23 VAL A 55 -0.865 4.233 -5.985 1.00 10.41 H new ATOM 921 N ILE A 56 2.552 0.860 -3.966 1.00 1.12 N ATOM 922 CA ILE A 56 3.615 -0.133 -3.965 1.00 32.14 C ATOM 923 C ILE A 56 2.996 -1.522 -3.772 1.00 51.20 C ATOM 924 O ILE A 56 2.341 -1.775 -2.760 1.00 25.34 O ATOM 925 CB ILE A 56 4.642 0.153 -2.811 1.00 72.31 C ATOM 926 CG1 ILE A 56 5.246 1.593 -2.927 1.00 62.12 C ATOM 927 CG2 ILE A 56 5.759 -0.917 -2.784 1.00 62.22 C ATOM 928 CD1 ILE A 56 6.164 1.816 -4.124 1.00 31.34 C ATOM 0 H ILE A 56 2.253 1.124 -3.027 1.00 1.12 H new ATOM 0 HA ILE A 56 4.147 -0.087 -4.915 1.00 32.14 H new ATOM 0 HB ILE A 56 4.100 0.098 -1.867 1.00 72.31 H new ATOM 0 HG12 ILE A 56 4.427 2.310 -2.979 1.00 62.12 H new ATOM 0 HG13 ILE A 56 5.803 1.811 -2.016 1.00 62.12 H new ATOM 0 HG21 ILE A 56 6.456 -0.695 -1.976 1.00 62.22 H new ATOM 0 HG22 ILE A 56 5.317 -1.900 -2.622 1.00 62.22 H new ATOM 0 HG23 ILE A 56 6.292 -0.911 -3.735 1.00 62.22 H new ATOM 0 HD11 ILE A 56 6.531 2.842 -4.115 1.00 31.34 H new ATOM 0 HD12 ILE A 56 7.008 1.129 -4.068 1.00 31.34 H new ATOM 0 HD13 ILE A 56 5.610 1.636 -5.046 1.00 31.34 H new ATOM 940 N PHE A 57 3.204 -2.404 -4.746 1.00 62.33 N ATOM 941 CA PHE A 57 2.725 -3.785 -4.704 1.00 11.15 C ATOM 942 C PHE A 57 3.897 -4.690 -4.320 1.00 33.54 C ATOM 943 O PHE A 57 4.783 -4.946 -5.144 1.00 31.33 O ATOM 944 CB PHE A 57 2.144 -4.175 -6.087 1.00 1.42 C ATOM 945 CG PHE A 57 0.986 -3.288 -6.527 1.00 4.24 C ATOM 946 CD1 PHE A 57 -0.316 -3.578 -6.123 1.00 53.34 C ATOM 947 CD2 PHE A 57 1.200 -2.153 -7.312 1.00 64.33 C ATOM 948 CE1 PHE A 57 -1.363 -2.763 -6.489 1.00 50.02 C ATOM 949 CE2 PHE A 57 0.146 -1.343 -7.681 1.00 44.13 C ATOM 950 CZ PHE A 57 -1.133 -1.648 -7.266 1.00 24.23 C ATOM 0 H PHE A 57 3.717 -2.178 -5.598 1.00 62.33 H new ATOM 0 HA PHE A 57 1.932 -3.897 -3.965 1.00 11.15 H new ATOM 0 HB2 PHE A 57 2.936 -4.123 -6.834 1.00 1.42 H new ATOM 0 HB3 PHE A 57 1.806 -5.211 -6.052 1.00 1.42 H new ATOM 0 HD1 PHE A 57 -0.505 -4.451 -5.516 1.00 53.34 H new ATOM 0 HD2 PHE A 57 2.201 -1.907 -7.634 1.00 64.33 H new ATOM 0 HE1 PHE A 57 -2.367 -2.998 -6.167 1.00 50.02 H new ATOM 0 HE2 PHE A 57 0.322 -0.471 -8.294 1.00 44.13 H new ATOM 0 HZ PHE A 57 -1.957 -1.011 -7.551 1.00 24.23 H new ATOM 960 N ILE A 58 3.922 -5.144 -3.060 1.00 20.13 N ATOM 961 CA ILE A 58 5.012 -5.985 -2.550 1.00 51.42 C ATOM 962 C ILE A 58 4.611 -7.463 -2.648 1.00 71.13 C ATOM 963 O ILE A 58 3.681 -7.910 -1.956 1.00 71.54 O ATOM 964 CB ILE A 58 5.418 -5.642 -1.065 1.00 62.52 C ATOM 965 CG1 ILE A 58 5.502 -4.099 -0.848 1.00 2.40 C ATOM 966 CG2 ILE A 58 6.774 -6.323 -0.711 1.00 30.15 C ATOM 967 CD1 ILE A 58 5.766 -3.670 0.586 1.00 64.43 C ATOM 0 H ILE A 58 3.196 -4.942 -2.373 1.00 20.13 H new ATOM 0 HA ILE A 58 5.885 -5.783 -3.170 1.00 51.42 H new ATOM 0 HB ILE A 58 4.646 -6.029 -0.399 1.00 62.52 H new ATOM 0 HG12 ILE A 58 6.293 -3.700 -1.483 1.00 2.40 H new ATOM 0 HG13 ILE A 58 4.567 -3.648 -1.181 1.00 2.40 H new ATOM 0 HG21 ILE A 58 7.046 -6.080 0.316 1.00 30.15 H new ATOM 0 HG22 ILE A 58 6.676 -7.404 -0.815 1.00 30.15 H new ATOM 0 HG23 ILE A 58 7.550 -5.962 -1.386 1.00 30.15 H new ATOM 0 HD11 ILE A 58 5.808 -2.582 0.639 1.00 64.43 H new ATOM 0 HD12 ILE A 58 4.964 -4.034 1.228 1.00 64.43 H new ATOM 0 HD13 ILE A 58 6.716 -4.086 0.921 1.00 64.43 H new ATOM 979 N ARG A 59 5.304 -8.203 -3.527 1.00 60.44 N ATOM 980 CA ARG A 59 5.123 -9.649 -3.680 1.00 14.01 C ATOM 981 C ARG A 59 5.792 -10.373 -2.495 1.00 62.53 C ATOM 982 O ARG A 59 7.014 -10.287 -2.325 1.00 62.34 O ATOM 983 CB ARG A 59 5.735 -10.118 -5.033 1.00 64.40 C ATOM 984 CG ARG A 59 5.531 -11.622 -5.345 1.00 24.34 C ATOM 985 CD ARG A 59 6.351 -12.113 -6.558 1.00 30.33 C ATOM 986 NE ARG A 59 6.140 -13.550 -6.831 1.00 53.33 N ATOM 987 CZ ARG A 59 6.813 -14.562 -6.254 1.00 42.21 C ATOM 988 NH1 ARG A 59 7.764 -14.331 -5.354 1.00 22.44 N ATOM 989 NH2 ARG A 59 6.535 -15.811 -6.591 1.00 41.32 N ATOM 0 H ARG A 59 6.008 -7.811 -4.153 1.00 60.44 H new ATOM 0 HA ARG A 59 4.060 -9.890 -3.685 1.00 14.01 H new ATOM 0 HB2 ARG A 59 5.296 -9.530 -5.839 1.00 64.40 H new ATOM 0 HB3 ARG A 59 6.804 -9.903 -5.028 1.00 64.40 H new ATOM 0 HG2 ARG A 59 5.807 -12.208 -4.468 1.00 24.34 H new ATOM 0 HG3 ARG A 59 4.473 -11.807 -5.532 1.00 24.34 H new ATOM 0 HD2 ARG A 59 6.075 -11.533 -7.439 1.00 30.33 H new ATOM 0 HD3 ARG A 59 7.410 -11.931 -6.376 1.00 30.33 H new ATOM 0 HE ARG A 59 5.424 -13.795 -7.515 1.00 53.33 H new ATOM 0 HH11 ARG A 59 7.994 -13.373 -5.090 1.00 22.44 H new ATOM 0 HH12 ARG A 59 8.263 -15.112 -4.928 1.00 22.44 H new ATOM 0 HH21 ARG A 59 5.813 -16.003 -7.286 1.00 41.32 H new ATOM 0 HH22 ARG A 59 7.043 -16.582 -6.156 1.00 41.32 H new ATOM 1003 N GLY A 60 4.965 -11.009 -1.655 1.00 63.02 N ATOM 1004 CA GLY A 60 5.433 -11.880 -0.576 1.00 24.20 C ATOM 1005 C GLY A 60 6.057 -11.124 0.592 1.00 45.22 C ATOM 1006 O GLY A 60 7.176 -11.436 1.011 1.00 61.23 O ATOM 0 H GLY A 60 3.949 -10.932 -1.707 1.00 63.02 H new ATOM 0 HA2 GLY A 60 4.595 -12.472 -0.208 1.00 24.20 H new ATOM 0 HA3 GLY A 60 6.166 -12.580 -0.978 1.00 24.20 H new ATOM 1010 N ALA A 61 5.331 -10.117 1.112 1.00 1.45 N ATOM 1011 CA ALA A 61 5.757 -9.351 2.297 1.00 13.15 C ATOM 1012 C ALA A 61 5.233 -10.004 3.593 1.00 70.35 C ATOM 1013 O ALA A 61 4.420 -10.932 3.561 1.00 51.11 O ATOM 1014 CB ALA A 61 5.266 -7.897 2.197 1.00 31.01 C ATOM 0 H ALA A 61 4.438 -9.813 0.725 1.00 1.45 H new ATOM 0 HA ALA A 61 6.846 -9.354 2.330 1.00 13.15 H new ATOM 0 HB1 ALA A 61 5.588 -7.343 3.079 1.00 31.01 H new ATOM 0 HB2 ALA A 61 5.684 -7.432 1.304 1.00 31.01 H new ATOM 0 HB3 ALA A 61 4.178 -7.884 2.137 1.00 31.01 H new ATOM 1020 N THR A 62 5.712 -9.478 4.723 1.00 13.41 N ATOM 1021 CA THR A 62 5.302 -9.887 6.077 1.00 63.23 C ATOM 1022 C THR A 62 5.404 -8.657 7.006 1.00 33.34 C ATOM 1023 O THR A 62 5.820 -7.585 6.541 1.00 74.43 O ATOM 1024 CB THR A 62 6.173 -11.091 6.588 1.00 74.30 C ATOM 1025 OG1 THR A 62 5.802 -11.457 7.932 1.00 71.21 O ATOM 1026 CG2 THR A 62 7.679 -10.784 6.527 1.00 23.23 C ATOM 0 H THR A 62 6.413 -8.737 4.726 1.00 13.41 H new ATOM 0 HA THR A 62 4.271 -10.240 6.069 1.00 63.23 H new ATOM 0 HB THR A 62 5.976 -11.929 5.920 1.00 74.30 H new ATOM 0 HG1 THR A 62 4.831 -11.579 7.982 1.00 71.21 H new ATOM 0 HG21 THR A 62 8.241 -11.645 6.890 1.00 23.23 H new ATOM 0 HG22 THR A 62 7.966 -10.572 5.497 1.00 23.23 H new ATOM 0 HG23 THR A 62 7.899 -9.918 7.151 1.00 23.23 H new ATOM 1034 N GLU A 63 5.040 -8.817 8.302 1.00 63.10 N ATOM 1035 CA GLU A 63 4.896 -7.698 9.260 1.00 25.54 C ATOM 1036 C GLU A 63 6.138 -6.792 9.290 1.00 24.53 C ATOM 1037 O GLU A 63 6.010 -5.585 9.095 1.00 44.24 O ATOM 1038 CB GLU A 63 4.591 -8.221 10.692 1.00 73.55 C ATOM 1039 CG GLU A 63 4.189 -7.105 11.686 1.00 35.55 C ATOM 1040 CD GLU A 63 4.148 -7.564 13.150 1.00 32.33 C ATOM 1041 OE1 GLU A 63 3.538 -8.614 13.447 1.00 70.01 O ATOM 1042 OE2 GLU A 63 4.730 -6.871 14.015 1.00 51.54 O ATOM 0 H GLU A 63 4.838 -9.729 8.711 1.00 63.10 H new ATOM 0 HA GLU A 63 4.054 -7.100 8.912 1.00 25.54 H new ATOM 0 HB2 GLU A 63 3.787 -8.955 10.638 1.00 73.55 H new ATOM 0 HB3 GLU A 63 5.470 -8.739 11.076 1.00 73.55 H new ATOM 0 HG2 GLU A 63 4.893 -6.278 11.594 1.00 35.55 H new ATOM 0 HG3 GLU A 63 3.208 -6.720 11.408 1.00 35.55 H new ATOM 1049 N GLU A 64 7.329 -7.410 9.477 1.00 40.41 N ATOM 1050 CA GLU A 64 8.631 -6.701 9.568 1.00 72.51 C ATOM 1051 C GLU A 64 8.866 -5.756 8.365 1.00 53.32 C ATOM 1052 O GLU A 64 9.363 -4.642 8.532 1.00 73.34 O ATOM 1053 CB GLU A 64 9.811 -7.718 9.674 1.00 50.52 C ATOM 1054 CG GLU A 64 9.930 -8.673 8.463 1.00 3.52 C ATOM 1055 CD GLU A 64 11.157 -9.597 8.496 1.00 71.24 C ATOM 1056 OE1 GLU A 64 11.041 -10.749 8.952 1.00 73.33 O ATOM 1057 OE2 GLU A 64 12.238 -9.182 8.036 1.00 43.33 O ATOM 0 H GLU A 64 7.415 -8.422 9.570 1.00 40.41 H new ATOM 0 HA GLU A 64 8.595 -6.093 10.472 1.00 72.51 H new ATOM 0 HB2 GLU A 64 10.745 -7.166 9.781 1.00 50.52 H new ATOM 0 HB3 GLU A 64 9.686 -8.311 10.580 1.00 50.52 H new ATOM 0 HG2 GLU A 64 9.031 -9.287 8.411 1.00 3.52 H new ATOM 0 HG3 GLU A 64 9.964 -8.079 7.550 1.00 3.52 H new ATOM 1064 N VAL A 65 8.471 -6.218 7.162 1.00 0.22 N ATOM 1065 CA VAL A 65 8.615 -5.466 5.908 1.00 24.41 C ATOM 1066 C VAL A 65 7.682 -4.240 5.907 1.00 14.35 C ATOM 1067 O VAL A 65 8.137 -3.092 5.736 1.00 0.25 O ATOM 1068 CB VAL A 65 8.303 -6.407 4.673 1.00 50.30 C ATOM 1069 CG1 VAL A 65 8.302 -5.640 3.329 1.00 22.12 C ATOM 1070 CG2 VAL A 65 9.283 -7.608 4.631 1.00 33.51 C ATOM 0 H VAL A 65 8.039 -7.134 7.037 1.00 0.22 H new ATOM 0 HA VAL A 65 9.643 -5.112 5.825 1.00 24.41 H new ATOM 0 HB VAL A 65 7.293 -6.792 4.814 1.00 50.30 H new ATOM 0 HG11 VAL A 65 8.083 -6.332 2.516 1.00 22.12 H new ATOM 0 HG12 VAL A 65 7.542 -4.859 3.356 1.00 22.12 H new ATOM 0 HG13 VAL A 65 9.281 -5.188 3.167 1.00 22.12 H new ATOM 0 HG21 VAL A 65 9.048 -8.239 3.774 1.00 33.51 H new ATOM 0 HG22 VAL A 65 10.305 -7.240 4.542 1.00 33.51 H new ATOM 0 HG23 VAL A 65 9.185 -8.190 5.548 1.00 33.51 H new ATOM 1080 N VAL A 66 6.389 -4.506 6.174 1.00 25.42 N ATOM 1081 CA VAL A 66 5.323 -3.499 6.101 1.00 24.14 C ATOM 1082 C VAL A 66 5.584 -2.378 7.122 1.00 61.43 C ATOM 1083 O VAL A 66 5.815 -1.233 6.733 1.00 31.12 O ATOM 1084 CB VAL A 66 3.905 -4.136 6.350 1.00 13.11 C ATOM 1085 CG1 VAL A 66 2.775 -3.101 6.119 1.00 20.34 C ATOM 1086 CG2 VAL A 66 3.703 -5.394 5.473 1.00 51.35 C ATOM 0 H VAL A 66 6.057 -5.431 6.447 1.00 25.42 H new ATOM 0 HA VAL A 66 5.329 -3.081 5.094 1.00 24.14 H new ATOM 0 HB VAL A 66 3.856 -4.446 7.394 1.00 13.11 H new ATOM 0 HG11 VAL A 66 1.808 -3.571 6.299 1.00 20.34 H new ATOM 0 HG12 VAL A 66 2.904 -2.263 6.804 1.00 20.34 H new ATOM 0 HG13 VAL A 66 2.817 -2.740 5.092 1.00 20.34 H new ATOM 0 HG21 VAL A 66 2.716 -5.816 5.663 1.00 51.35 H new ATOM 0 HG22 VAL A 66 3.784 -5.121 4.421 1.00 51.35 H new ATOM 0 HG23 VAL A 66 4.466 -6.133 5.716 1.00 51.35 H new ATOM 1096 N ARG A 67 5.636 -2.760 8.423 1.00 62.20 N ATOM 1097 CA ARG A 67 5.769 -1.819 9.560 1.00 12.15 C ATOM 1098 C ARG A 67 7.007 -0.905 9.429 1.00 70.24 C ATOM 1099 O ARG A 67 6.956 0.248 9.837 1.00 34.35 O ATOM 1100 CB ARG A 67 5.755 -2.591 10.930 1.00 32.21 C ATOM 1101 CG ARG A 67 6.947 -3.557 11.206 1.00 63.10 C ATOM 1102 CD ARG A 67 8.135 -2.911 11.939 1.00 40.04 C ATOM 1103 NE ARG A 67 7.780 -2.506 13.306 1.00 11.44 N ATOM 1104 CZ ARG A 67 8.415 -1.573 14.038 1.00 64.21 C ATOM 1105 NH1 ARG A 67 9.465 -0.913 13.555 1.00 52.33 N ATOM 1106 NH2 ARG A 67 8.011 -1.330 15.276 1.00 73.43 N ATOM 0 H ARG A 67 5.586 -3.737 8.713 1.00 62.20 H new ATOM 0 HA ARG A 67 4.901 -1.160 9.536 1.00 12.15 H new ATOM 0 HB2 ARG A 67 5.721 -1.856 11.734 1.00 32.21 H new ATOM 0 HB3 ARG A 67 4.831 -3.167 10.986 1.00 32.21 H new ATOM 0 HG2 ARG A 67 6.586 -4.399 11.797 1.00 63.10 H new ATOM 0 HG3 ARG A 67 7.298 -3.961 10.256 1.00 63.10 H new ATOM 0 HD2 ARG A 67 8.967 -3.615 11.973 1.00 40.04 H new ATOM 0 HD3 ARG A 67 8.477 -2.040 11.380 1.00 40.04 H new ATOM 0 HE ARG A 67 6.983 -2.973 13.738 1.00 11.44 H new ATOM 0 HH11 ARG A 67 9.803 -1.111 12.613 1.00 52.33 H new ATOM 0 HH12 ARG A 67 9.932 -0.209 14.127 1.00 52.33 H new ATOM 0 HH21 ARG A 67 7.224 -1.849 15.667 1.00 73.43 H new ATOM 0 HH22 ARG A 67 8.487 -0.624 15.838 1.00 73.43 H new ATOM 1120 N ASP A 68 8.095 -1.437 8.820 1.00 64.45 N ATOM 1121 CA ASP A 68 9.376 -0.716 8.642 1.00 44.41 C ATOM 1122 C ASP A 68 9.227 0.418 7.607 1.00 44.23 C ATOM 1123 O ASP A 68 9.575 1.571 7.882 1.00 53.25 O ATOM 1124 CB ASP A 68 10.485 -1.707 8.202 1.00 25.31 C ATOM 1125 CG ASP A 68 11.874 -1.050 8.045 1.00 21.44 C ATOM 1126 OD1 ASP A 68 12.207 -0.580 6.942 1.00 45.44 O ATOM 1127 OD2 ASP A 68 12.653 -1.024 9.023 1.00 25.22 O ATOM 0 H ASP A 68 8.107 -2.382 8.437 1.00 64.45 H new ATOM 0 HA ASP A 68 9.658 -0.270 9.596 1.00 44.41 H new ATOM 0 HB2 ASP A 68 10.553 -2.511 8.934 1.00 25.31 H new ATOM 0 HB3 ASP A 68 10.198 -2.163 7.254 1.00 25.31 H new ATOM 1132 N ILE A 69 8.699 0.059 6.413 1.00 53.40 N ATOM 1133 CA ILE A 69 8.424 1.023 5.319 1.00 22.24 C ATOM 1134 C ILE A 69 7.460 2.133 5.797 1.00 5.54 C ATOM 1135 O ILE A 69 7.631 3.320 5.483 1.00 3.44 O ATOM 1136 CB ILE A 69 7.775 0.304 4.075 1.00 72.11 C ATOM 1137 CG1 ILE A 69 8.707 -0.809 3.502 1.00 44.12 C ATOM 1138 CG2 ILE A 69 7.391 1.326 2.974 1.00 2.33 C ATOM 1139 CD1 ILE A 69 8.063 -1.626 2.395 1.00 23.30 C ATOM 0 H ILE A 69 8.452 -0.903 6.181 1.00 53.40 H new ATOM 0 HA ILE A 69 9.380 1.459 5.029 1.00 22.24 H new ATOM 0 HB ILE A 69 6.861 -0.179 4.421 1.00 72.11 H new ATOM 0 HG12 ILE A 69 9.618 -0.348 3.120 1.00 44.12 H new ATOM 0 HG13 ILE A 69 9.003 -1.477 4.311 1.00 44.12 H new ATOM 0 HG21 ILE A 69 6.946 0.801 2.129 1.00 2.33 H new ATOM 0 HG22 ILE A 69 6.673 2.041 3.376 1.00 2.33 H new ATOM 0 HG23 ILE A 69 8.284 1.856 2.642 1.00 2.33 H new ATOM 0 HD11 ILE A 69 8.767 -2.381 2.043 1.00 23.30 H new ATOM 0 HD12 ILE A 69 7.167 -2.115 2.778 1.00 23.30 H new ATOM 0 HD13 ILE A 69 7.792 -0.969 1.568 1.00 23.30 H new ATOM 1151 N VAL A 70 6.450 1.704 6.559 1.00 72.21 N ATOM 1152 CA VAL A 70 5.382 2.564 7.060 1.00 31.03 C ATOM 1153 C VAL A 70 5.922 3.611 8.047 1.00 24.25 C ATOM 1154 O VAL A 70 5.730 4.811 7.825 1.00 13.22 O ATOM 1155 CB VAL A 70 4.248 1.684 7.698 1.00 70.34 C ATOM 1156 CG1 VAL A 70 3.225 2.530 8.493 1.00 60.10 C ATOM 1157 CG2 VAL A 70 3.553 0.843 6.590 1.00 2.34 C ATOM 0 H VAL A 70 6.353 0.731 6.849 1.00 72.21 H new ATOM 0 HA VAL A 70 4.954 3.118 6.225 1.00 31.03 H new ATOM 0 HB VAL A 70 4.708 1.009 8.419 1.00 70.34 H new ATOM 0 HG11 VAL A 70 2.461 1.876 8.914 1.00 60.10 H new ATOM 0 HG12 VAL A 70 3.736 3.057 9.299 1.00 60.10 H new ATOM 0 HG13 VAL A 70 2.756 3.254 7.827 1.00 60.10 H new ATOM 0 HG21 VAL A 70 2.767 0.233 7.035 1.00 2.34 H new ATOM 0 HG22 VAL A 70 3.118 1.510 5.846 1.00 2.34 H new ATOM 0 HG23 VAL A 70 4.287 0.195 6.111 1.00 2.34 H new ATOM 1167 N GLU A 71 6.645 3.162 9.102 1.00 44.34 N ATOM 1168 CA GLU A 71 7.182 4.077 10.134 1.00 45.24 C ATOM 1169 C GLU A 71 8.239 5.024 9.536 1.00 60.52 C ATOM 1170 O GLU A 71 8.367 6.173 9.986 1.00 64.22 O ATOM 1171 CB GLU A 71 7.692 3.305 11.399 1.00 3.11 C ATOM 1172 CG GLU A 71 8.842 2.276 11.206 1.00 4.40 C ATOM 1173 CD GLU A 71 10.267 2.873 11.171 1.00 2.33 C ATOM 1174 OE1 GLU A 71 10.797 3.217 12.247 1.00 11.50 O ATOM 1175 OE2 GLU A 71 10.872 2.979 10.087 1.00 24.43 O ATOM 0 H GLU A 71 6.867 2.179 9.258 1.00 44.34 H new ATOM 0 HA GLU A 71 6.362 4.703 10.486 1.00 45.24 H new ATOM 0 HB2 GLU A 71 8.022 4.042 12.131 1.00 3.11 H new ATOM 0 HB3 GLU A 71 6.843 2.780 11.836 1.00 3.11 H new ATOM 0 HG2 GLU A 71 8.792 1.545 12.013 1.00 4.40 H new ATOM 0 HG3 GLU A 71 8.670 1.735 10.276 1.00 4.40 H new ATOM 1182 N TYR A 72 8.954 4.533 8.488 1.00 71.34 N ATOM 1183 CA TYR A 72 9.877 5.346 7.672 1.00 51.21 C ATOM 1184 C TYR A 72 9.134 6.544 7.071 1.00 12.13 C ATOM 1185 O TYR A 72 9.437 7.690 7.402 1.00 14.23 O ATOM 1186 CB TYR A 72 10.526 4.476 6.544 1.00 54.51 C ATOM 1187 CG TYR A 72 11.368 5.267 5.513 1.00 10.22 C ATOM 1188 CD1 TYR A 72 12.653 5.728 5.813 1.00 43.43 C ATOM 1189 CD2 TYR A 72 10.864 5.575 4.239 1.00 12.25 C ATOM 1190 CE1 TYR A 72 13.391 6.459 4.900 1.00 1.33 C ATOM 1191 CE2 TYR A 72 11.608 6.300 3.325 1.00 41.22 C ATOM 1192 CZ TYR A 72 12.864 6.741 3.662 1.00 1.02 C ATOM 1193 OH TYR A 72 13.594 7.484 2.760 1.00 40.12 O ATOM 0 H TYR A 72 8.901 3.559 8.190 1.00 71.34 H new ATOM 0 HA TYR A 72 10.675 5.719 8.314 1.00 51.21 H new ATOM 0 HB2 TYR A 72 11.161 3.721 7.008 1.00 54.51 H new ATOM 0 HB3 TYR A 72 9.735 3.945 6.014 1.00 54.51 H new ATOM 0 HD1 TYR A 72 13.080 5.508 6.781 1.00 43.43 H new ATOM 0 HD2 TYR A 72 9.874 5.239 3.967 1.00 12.25 H new ATOM 0 HE1 TYR A 72 14.380 6.808 5.159 1.00 1.33 H new ATOM 0 HE2 TYR A 72 11.202 6.519 2.349 1.00 41.22 H new ATOM 0 HH TYR A 72 13.025 8.184 2.377 1.00 40.12 H new ATOM 1203 N ALA A 73 8.110 6.241 6.248 1.00 41.22 N ATOM 1204 CA ALA A 73 7.339 7.244 5.494 1.00 33.23 C ATOM 1205 C ALA A 73 6.620 8.229 6.439 1.00 64.52 C ATOM 1206 O ALA A 73 6.478 9.410 6.121 1.00 61.42 O ATOM 1207 CB ALA A 73 6.345 6.541 4.566 1.00 61.24 C ATOM 0 H ALA A 73 7.794 5.284 6.088 1.00 41.22 H new ATOM 0 HA ALA A 73 8.030 7.830 4.889 1.00 33.23 H new ATOM 0 HB1 ALA A 73 5.777 7.286 4.010 1.00 61.24 H new ATOM 0 HB2 ALA A 73 6.887 5.903 3.868 1.00 61.24 H new ATOM 0 HB3 ALA A 73 5.662 5.932 5.158 1.00 61.24 H new ATOM 1213 N GLN A 74 6.204 7.724 7.616 1.00 62.32 N ATOM 1214 CA GLN A 74 5.609 8.546 8.689 1.00 61.12 C ATOM 1215 C GLN A 74 6.603 9.623 9.181 1.00 20.42 C ATOM 1216 O GLN A 74 6.238 10.793 9.329 1.00 21.33 O ATOM 1217 CB GLN A 74 5.154 7.648 9.872 1.00 4.42 C ATOM 1218 CG GLN A 74 3.917 6.777 9.574 1.00 62.23 C ATOM 1219 CD GLN A 74 3.471 5.915 10.756 1.00 11.31 C ATOM 1220 OE1 GLN A 74 4.282 5.442 11.549 1.00 25.13 O ATOM 1221 NE2 GLN A 74 2.172 5.731 10.897 1.00 64.14 N ATOM 0 H GLN A 74 6.271 6.734 7.851 1.00 62.32 H new ATOM 0 HA GLN A 74 4.736 9.054 8.279 1.00 61.12 H new ATOM 0 HB2 GLN A 74 5.981 6.997 10.157 1.00 4.42 H new ATOM 0 HB3 GLN A 74 4.937 8.283 10.731 1.00 4.42 H new ATOM 0 HG2 GLN A 74 3.092 7.424 9.276 1.00 62.23 H new ATOM 0 HG3 GLN A 74 4.136 6.129 8.726 1.00 62.23 H new ATOM 0 HE21 GLN A 74 1.523 6.136 10.222 1.00 64.14 H new ATOM 0 HE22 GLN A 74 1.817 5.183 11.681 1.00 64.14 H new ATOM 1230 N LYS A 75 7.869 9.207 9.402 1.00 5.34 N ATOM 1231 CA LYS A 75 8.965 10.117 9.822 1.00 10.41 C ATOM 1232 C LYS A 75 9.374 11.078 8.685 1.00 20.32 C ATOM 1233 O LYS A 75 9.963 12.131 8.949 1.00 4.33 O ATOM 1234 CB LYS A 75 10.194 9.296 10.315 1.00 15.04 C ATOM 1235 CG LYS A 75 9.948 8.524 11.636 1.00 75.23 C ATOM 1236 CD LYS A 75 11.141 7.629 12.060 1.00 12.01 C ATOM 1237 CE LYS A 75 11.401 6.476 11.082 1.00 0.05 C ATOM 1238 NZ LYS A 75 12.450 5.547 11.576 1.00 4.21 N ATOM 0 H LYS A 75 8.162 8.236 9.296 1.00 5.34 H new ATOM 0 HA LYS A 75 8.594 10.724 10.648 1.00 10.41 H new ATOM 0 HB2 LYS A 75 10.478 8.586 9.539 1.00 15.04 H new ATOM 0 HB3 LYS A 75 11.038 9.972 10.453 1.00 15.04 H new ATOM 0 HG2 LYS A 75 9.739 9.239 12.432 1.00 75.23 H new ATOM 0 HG3 LYS A 75 9.059 7.903 11.525 1.00 75.23 H new ATOM 0 HD2 LYS A 75 12.039 8.242 12.137 1.00 12.01 H new ATOM 0 HD3 LYS A 75 10.947 7.220 13.052 1.00 12.01 H new ATOM 0 HE2 LYS A 75 10.476 5.923 10.920 1.00 0.05 H new ATOM 0 HE3 LYS A 75 11.703 6.882 10.116 1.00 0.05 H new ATOM 0 HZ1 LYS A 75 13.108 5.323 10.802 1.00 4.21 H new ATOM 0 HZ2 LYS A 75 12.972 5.996 12.356 1.00 4.21 H new ATOM 0 HZ3 LYS A 75 12.005 4.671 11.917 1.00 4.21 H new ATOM 1252 N GLU A 76 9.052 10.716 7.421 1.00 13.41 N ATOM 1253 CA GLU A 76 9.311 11.582 6.244 1.00 73.33 C ATOM 1254 C GLU A 76 8.160 12.602 6.035 1.00 3.15 C ATOM 1255 O GLU A 76 8.162 13.353 5.047 1.00 30.11 O ATOM 1256 CB GLU A 76 9.539 10.726 4.957 1.00 43.53 C ATOM 1257 CG GLU A 76 10.542 9.543 5.094 1.00 71.32 C ATOM 1258 CD GLU A 76 11.843 9.869 5.867 1.00 41.23 C ATOM 1259 OE1 GLU A 76 11.922 9.581 7.087 1.00 14.31 O ATOM 1260 OE2 GLU A 76 12.794 10.418 5.269 1.00 22.22 O ATOM 0 H GLU A 76 8.610 9.826 7.189 1.00 13.41 H new ATOM 0 HA GLU A 76 10.224 12.144 6.440 1.00 73.33 H new ATOM 0 HB2 GLU A 76 8.577 10.326 4.635 1.00 43.53 H new ATOM 0 HB3 GLU A 76 9.891 11.385 4.164 1.00 43.53 H new ATOM 0 HG2 GLU A 76 10.038 8.716 5.595 1.00 71.32 H new ATOM 0 HG3 GLU A 76 10.809 9.196 4.096 1.00 71.32 H new ATOM 1267 N GLY A 77 7.193 12.617 6.983 1.00 22.42 N ATOM 1268 CA GLY A 77 6.054 13.547 6.958 1.00 52.05 C ATOM 1269 C GLY A 77 5.007 13.172 5.922 1.00 70.13 C ATOM 1270 O GLY A 77 4.336 14.042 5.349 1.00 14.42 O ATOM 0 H GLY A 77 7.186 11.983 7.782 1.00 22.42 H new ATOM 0 HA2 GLY A 77 5.590 13.572 7.944 1.00 52.05 H new ATOM 0 HA3 GLY A 77 6.418 14.554 6.752 1.00 52.05 H new ATOM 1274 N LEU A 78 4.874 11.861 5.673 1.00 61.41 N ATOM 1275 CA LEU A 78 3.986 11.321 4.630 1.00 21.01 C ATOM 1276 C LEU A 78 2.865 10.483 5.258 1.00 32.13 C ATOM 1277 O LEU A 78 3.081 9.778 6.255 1.00 2.30 O ATOM 1278 CB LEU A 78 4.798 10.447 3.630 1.00 4.42 C ATOM 1279 CG LEU A 78 6.028 11.135 2.961 1.00 52.32 C ATOM 1280 CD1 LEU A 78 6.723 10.190 1.966 1.00 22.01 C ATOM 1281 CD2 LEU A 78 5.632 12.460 2.288 1.00 72.21 C ATOM 0 H LEU A 78 5.380 11.142 6.190 1.00 61.41 H new ATOM 0 HA LEU A 78 3.541 12.158 4.093 1.00 21.01 H new ATOM 0 HB2 LEU A 78 5.146 9.558 4.155 1.00 4.42 H new ATOM 0 HB3 LEU A 78 4.124 10.109 2.843 1.00 4.42 H new ATOM 0 HG LEU A 78 6.743 11.368 3.750 1.00 52.32 H new ATOM 0 HD11 LEU A 78 7.576 10.698 1.516 1.00 22.01 H new ATOM 0 HD12 LEU A 78 7.067 9.299 2.490 1.00 22.01 H new ATOM 0 HD13 LEU A 78 6.019 9.902 1.185 1.00 22.01 H new ATOM 0 HD21 LEU A 78 6.512 12.914 1.832 1.00 72.21 H new ATOM 0 HD22 LEU A 78 4.883 12.268 1.520 1.00 72.21 H new ATOM 0 HD23 LEU A 78 5.220 13.139 3.035 1.00 72.21 H new ATOM 1293 N ARG A 79 1.675 10.581 4.651 1.00 72.32 N ATOM 1294 CA ARG A 79 0.524 9.736 4.968 1.00 65.22 C ATOM 1295 C ARG A 79 0.801 8.313 4.462 1.00 70.24 C ATOM 1296 O ARG A 79 1.358 8.142 3.374 1.00 45.54 O ATOM 1297 CB ARG A 79 -0.742 10.328 4.278 1.00 11.01 C ATOM 1298 CG ARG A 79 -2.018 9.460 4.394 1.00 71.33 C ATOM 1299 CD ARG A 79 -3.207 10.033 3.600 1.00 51.10 C ATOM 1300 NE ARG A 79 -3.686 11.305 4.152 1.00 52.12 N ATOM 1301 CZ ARG A 79 -4.882 11.862 3.901 1.00 22.34 C ATOM 1302 NH1 ARG A 79 -5.762 11.267 3.090 1.00 63.34 N ATOM 1303 NH2 ARG A 79 -5.198 13.008 4.487 1.00 54.55 N ATOM 0 H ARG A 79 1.486 11.261 3.915 1.00 72.32 H new ATOM 0 HA ARG A 79 0.355 9.702 6.044 1.00 65.22 H new ATOM 0 HB2 ARG A 79 -0.947 11.308 4.709 1.00 11.01 H new ATOM 0 HB3 ARG A 79 -0.522 10.484 3.222 1.00 11.01 H new ATOM 0 HG2 ARG A 79 -1.800 8.453 4.037 1.00 71.33 H new ATOM 0 HG3 ARG A 79 -2.297 9.372 5.444 1.00 71.33 H new ATOM 0 HD2 ARG A 79 -2.910 10.179 2.561 1.00 51.10 H new ATOM 0 HD3 ARG A 79 -4.023 9.310 3.600 1.00 51.10 H new ATOM 0 HE ARG A 79 -3.058 11.808 4.779 1.00 52.12 H new ATOM 0 HH11 ARG A 79 -5.530 10.376 2.651 1.00 63.34 H new ATOM 0 HH12 ARG A 79 -6.666 11.704 2.910 1.00 63.34 H new ATOM 0 HH21 ARG A 79 -4.536 13.457 5.120 1.00 54.55 H new ATOM 0 HH22 ARG A 79 -6.103 13.441 4.305 1.00 54.55 H new ATOM 1317 N VAL A 80 0.455 7.297 5.262 1.00 31.11 N ATOM 1318 CA VAL A 80 0.594 5.888 4.856 1.00 25.44 C ATOM 1319 C VAL A 80 -0.784 5.206 4.884 1.00 71.21 C ATOM 1320 O VAL A 80 -1.593 5.456 5.780 1.00 74.14 O ATOM 1321 CB VAL A 80 1.595 5.090 5.778 1.00 64.11 C ATOM 1322 CG1 VAL A 80 1.864 3.688 5.187 1.00 50.42 C ATOM 1323 CG2 VAL A 80 2.916 5.871 5.998 1.00 41.01 C ATOM 0 H VAL A 80 0.074 7.423 6.200 1.00 31.11 H new ATOM 0 HA VAL A 80 1.003 5.880 3.846 1.00 25.44 H new ATOM 0 HB VAL A 80 1.130 4.969 6.757 1.00 64.11 H new ATOM 0 HG11 VAL A 80 2.556 3.148 5.833 1.00 50.42 H new ATOM 0 HG12 VAL A 80 0.926 3.136 5.118 1.00 50.42 H new ATOM 0 HG13 VAL A 80 2.299 3.790 4.193 1.00 50.42 H new ATOM 0 HG21 VAL A 80 3.580 5.290 6.638 1.00 41.01 H new ATOM 0 HG22 VAL A 80 3.400 6.046 5.037 1.00 41.01 H new ATOM 0 HG23 VAL A 80 2.698 6.827 6.474 1.00 41.01 H new ATOM 1333 N LEU A 81 -1.046 4.391 3.855 1.00 63.22 N ATOM 1334 CA LEU A 81 -2.216 3.494 3.760 1.00 31.11 C ATOM 1335 C LEU A 81 -1.666 2.066 3.656 1.00 3.42 C ATOM 1336 O LEU A 81 -0.610 1.878 3.056 1.00 51.20 O ATOM 1337 CB LEU A 81 -3.078 3.828 2.495 1.00 71.04 C ATOM 1338 CG LEU A 81 -4.022 5.085 2.555 1.00 43.51 C ATOM 1339 CD1 LEU A 81 -5.092 4.945 3.647 1.00 34.14 C ATOM 1340 CD2 LEU A 81 -3.245 6.396 2.725 1.00 1.43 C ATOM 0 H LEU A 81 -0.436 4.332 3.040 1.00 63.22 H new ATOM 0 HA LEU A 81 -2.861 3.613 4.631 1.00 31.11 H new ATOM 0 HB2 LEU A 81 -2.398 3.961 1.653 1.00 71.04 H new ATOM 0 HB3 LEU A 81 -3.695 2.957 2.272 1.00 71.04 H new ATOM 0 HG LEU A 81 -4.527 5.128 1.590 1.00 43.51 H new ATOM 0 HD11 LEU A 81 -5.723 5.834 3.655 1.00 34.14 H new ATOM 0 HD12 LEU A 81 -5.705 4.067 3.445 1.00 34.14 H new ATOM 0 HD13 LEU A 81 -4.609 4.834 4.618 1.00 34.14 H new ATOM 0 HD21 LEU A 81 -3.944 7.231 2.760 1.00 1.43 H new ATOM 0 HD22 LEU A 81 -2.673 6.362 3.652 1.00 1.43 H new ATOM 0 HD23 LEU A 81 -2.565 6.528 1.883 1.00 1.43 H new ATOM 1352 N VAL A 82 -2.350 1.072 4.250 1.00 5.22 N ATOM 1353 CA VAL A 82 -1.930 -0.351 4.162 1.00 70.53 C ATOM 1354 C VAL A 82 -3.136 -1.246 3.812 1.00 70.02 C ATOM 1355 O VAL A 82 -4.079 -1.378 4.603 1.00 41.50 O ATOM 1356 CB VAL A 82 -1.242 -0.876 5.493 1.00 4.12 C ATOM 1357 CG1 VAL A 82 -0.822 -2.365 5.366 1.00 75.13 C ATOM 1358 CG2 VAL A 82 -0.028 -0.002 5.885 1.00 40.34 C ATOM 0 H VAL A 82 -3.197 1.221 4.798 1.00 5.22 H new ATOM 0 HA VAL A 82 -1.184 -0.406 3.369 1.00 70.53 H new ATOM 0 HB VAL A 82 -1.984 -0.800 6.288 1.00 4.12 H new ATOM 0 HG11 VAL A 82 -0.354 -2.692 6.295 1.00 75.13 H new ATOM 0 HG12 VAL A 82 -1.703 -2.976 5.169 1.00 75.13 H new ATOM 0 HG13 VAL A 82 -0.113 -2.474 4.545 1.00 75.13 H new ATOM 0 HG21 VAL A 82 0.419 -0.390 6.800 1.00 40.34 H new ATOM 0 HG22 VAL A 82 0.710 -0.024 5.083 1.00 40.34 H new ATOM 0 HG23 VAL A 82 -0.356 1.025 6.048 1.00 40.34 H new ATOM 1368 N ILE A 83 -3.094 -1.834 2.604 1.00 12.43 N ATOM 1369 CA ILE A 83 -4.043 -2.859 2.147 1.00 4.43 C ATOM 1370 C ILE A 83 -3.333 -4.214 2.172 1.00 64.02 C ATOM 1371 O ILE A 83 -2.286 -4.372 1.548 1.00 24.42 O ATOM 1372 CB ILE A 83 -4.557 -2.570 0.685 1.00 22.21 C ATOM 1373 CG1 ILE A 83 -5.191 -1.156 0.622 1.00 11.40 C ATOM 1374 CG2 ILE A 83 -5.555 -3.660 0.201 1.00 71.22 C ATOM 1375 CD1 ILE A 83 -5.732 -0.747 -0.727 1.00 61.53 C ATOM 0 H ILE A 83 -2.386 -1.605 1.907 1.00 12.43 H new ATOM 0 HA ILE A 83 -4.908 -2.854 2.810 1.00 4.43 H new ATOM 0 HB ILE A 83 -3.704 -2.602 0.007 1.00 22.21 H new ATOM 0 HG12 ILE A 83 -6.001 -1.107 1.349 1.00 11.40 H new ATOM 0 HG13 ILE A 83 -4.442 -0.427 0.930 1.00 11.40 H new ATOM 0 HG21 ILE A 83 -5.887 -3.426 -0.811 1.00 71.22 H new ATOM 0 HG22 ILE A 83 -5.062 -4.632 0.205 1.00 71.22 H new ATOM 0 HG23 ILE A 83 -6.416 -3.687 0.868 1.00 71.22 H new ATOM 0 HD11 ILE A 83 -6.152 0.257 -0.661 1.00 61.53 H new ATOM 0 HD12 ILE A 83 -4.926 -0.755 -1.460 1.00 61.53 H new ATOM 0 HD13 ILE A 83 -6.509 -1.447 -1.035 1.00 61.53 H new ATOM 1387 N MET A 84 -3.884 -5.170 2.911 1.00 52.44 N ATOM 1388 CA MET A 84 -3.399 -6.549 2.937 1.00 21.21 C ATOM 1389 C MET A 84 -4.542 -7.448 2.474 1.00 64.52 C ATOM 1390 O MET A 84 -5.575 -7.553 3.145 1.00 73.32 O ATOM 1391 CB MET A 84 -2.916 -6.902 4.370 1.00 70.41 C ATOM 1392 CG MET A 84 -1.618 -6.192 4.787 1.00 30.15 C ATOM 1393 SD MET A 84 -1.325 -6.262 6.559 1.00 54.32 S ATOM 1394 CE MET A 84 -2.503 -5.060 7.188 1.00 72.43 C ATOM 0 H MET A 84 -4.689 -5.010 3.516 1.00 52.44 H new ATOM 0 HA MET A 84 -2.547 -6.689 2.271 1.00 21.21 H new ATOM 0 HB2 MET A 84 -3.702 -6.646 5.080 1.00 70.41 H new ATOM 0 HB3 MET A 84 -2.766 -7.980 4.436 1.00 70.41 H new ATOM 0 HG2 MET A 84 -0.776 -6.648 4.266 1.00 30.15 H new ATOM 0 HG3 MET A 84 -1.662 -5.150 4.471 1.00 30.15 H new ATOM 0 HE1 MET A 84 -1.974 -4.158 7.495 1.00 72.43 H new ATOM 0 HE2 MET A 84 -3.221 -4.811 6.407 1.00 72.43 H new ATOM 0 HE3 MET A 84 -3.030 -5.481 8.044 1.00 72.43 H new ATOM 1404 N VAL A 85 -4.350 -8.066 1.303 1.00 14.42 N ATOM 1405 CA VAL A 85 -5.302 -8.994 0.689 1.00 55.30 C ATOM 1406 C VAL A 85 -4.494 -10.168 0.152 1.00 21.34 C ATOM 1407 O VAL A 85 -3.695 -10.002 -0.769 1.00 13.51 O ATOM 1408 CB VAL A 85 -6.148 -8.358 -0.492 1.00 73.35 C ATOM 1409 CG1 VAL A 85 -7.084 -9.423 -1.126 1.00 51.15 C ATOM 1410 CG2 VAL A 85 -6.954 -7.123 -0.016 1.00 1.21 C ATOM 0 H VAL A 85 -3.508 -7.930 0.744 1.00 14.42 H new ATOM 0 HA VAL A 85 -6.026 -9.289 1.448 1.00 55.30 H new ATOM 0 HB VAL A 85 -5.449 -8.014 -1.255 1.00 73.35 H new ATOM 0 HG11 VAL A 85 -7.657 -8.969 -1.935 1.00 51.15 H new ATOM 0 HG12 VAL A 85 -6.486 -10.244 -1.522 1.00 51.15 H new ATOM 0 HG13 VAL A 85 -7.767 -9.805 -0.367 1.00 51.15 H new ATOM 0 HG21 VAL A 85 -7.521 -6.714 -0.852 1.00 1.21 H new ATOM 0 HG22 VAL A 85 -7.640 -7.420 0.777 1.00 1.21 H new ATOM 0 HG23 VAL A 85 -6.268 -6.365 0.363 1.00 1.21 H new ATOM 1420 N ASP A 86 -4.716 -11.335 0.732 1.00 2.50 N ATOM 1421 CA ASP A 86 -4.011 -12.568 0.372 1.00 4.54 C ATOM 1422 C ASP A 86 -4.914 -13.751 0.729 1.00 73.53 C ATOM 1423 O ASP A 86 -5.972 -13.559 1.349 1.00 14.43 O ATOM 1424 CB ASP A 86 -2.635 -12.628 1.104 1.00 20.44 C ATOM 1425 CG ASP A 86 -1.732 -13.781 0.647 1.00 74.21 C ATOM 1426 OD1 ASP A 86 -1.225 -14.527 1.502 1.00 73.34 O ATOM 1427 OD2 ASP A 86 -1.534 -13.949 -0.578 1.00 62.21 O ATOM 0 H ASP A 86 -5.400 -11.462 1.478 1.00 2.50 H new ATOM 0 HA ASP A 86 -3.798 -12.602 -0.696 1.00 4.54 H new ATOM 0 HB2 ASP A 86 -2.110 -11.686 0.947 1.00 20.44 H new ATOM 0 HB3 ASP A 86 -2.810 -12.720 2.176 1.00 20.44 H new ATOM 1432 N GLN A 87 -4.514 -14.966 0.317 1.00 10.45 N ATOM 1433 CA GLN A 87 -5.284 -16.194 0.568 1.00 23.05 C ATOM 1434 C GLN A 87 -5.083 -16.674 2.017 1.00 53.34 C ATOM 1435 O GLN A 87 -4.478 -17.728 2.264 1.00 11.52 O ATOM 1436 CB GLN A 87 -4.898 -17.283 -0.466 1.00 70.13 C ATOM 1437 CG GLN A 87 -5.097 -16.849 -1.930 1.00 24.11 C ATOM 1438 CD GLN A 87 -4.709 -17.916 -2.956 1.00 0.03 C ATOM 1439 OE1 GLN A 87 -4.832 -19.116 -2.715 1.00 52.05 O ATOM 1440 NE2 GLN A 87 -4.239 -17.492 -4.107 1.00 73.42 N ATOM 0 H GLN A 87 -3.648 -15.123 -0.199 1.00 10.45 H new ATOM 0 HA GLN A 87 -6.346 -15.983 0.446 1.00 23.05 H new ATOM 0 HB2 GLN A 87 -3.854 -17.558 -0.317 1.00 70.13 H new ATOM 0 HB3 GLN A 87 -5.493 -18.177 -0.278 1.00 70.13 H new ATOM 0 HG2 GLN A 87 -6.143 -16.580 -2.079 1.00 24.11 H new ATOM 0 HG3 GLN A 87 -4.507 -15.951 -2.115 1.00 24.11 H new ATOM 0 HE21 GLN A 87 -4.147 -16.492 -4.283 1.00 73.42 H new ATOM 0 HE22 GLN A 87 -3.967 -18.163 -4.825 1.00 73.42 H new ATOM 1449 N ASP A 88 -5.617 -15.868 2.957 1.00 64.13 N ATOM 1450 CA ASP A 88 -5.461 -16.052 4.406 1.00 20.33 C ATOM 1451 C ASP A 88 -6.166 -14.900 5.154 1.00 13.41 C ATOM 1452 O ASP A 88 -6.369 -13.822 4.589 1.00 62.31 O ATOM 1453 CB ASP A 88 -3.956 -16.104 4.801 1.00 45.40 C ATOM 1454 CG ASP A 88 -3.751 -16.614 6.227 1.00 1.35 C ATOM 1455 OD1 ASP A 88 -3.634 -17.843 6.423 1.00 34.35 O ATOM 1456 OD2 ASP A 88 -3.736 -15.804 7.164 1.00 51.32 O ATOM 0 H ASP A 88 -6.182 -15.053 2.719 1.00 64.13 H new ATOM 0 HA ASP A 88 -5.918 -17.001 4.687 1.00 20.33 H new ATOM 0 HB2 ASP A 88 -3.422 -16.751 4.105 1.00 45.40 H new ATOM 0 HB3 ASP A 88 -3.523 -15.108 4.707 1.00 45.40 H new ATOM 1461 N GLN A 89 -6.573 -15.153 6.414 1.00 14.33 N ATOM 1462 CA GLN A 89 -7.140 -14.121 7.312 1.00 33.32 C ATOM 1463 C GLN A 89 -6.168 -13.796 8.479 1.00 2.33 C ATOM 1464 O GLN A 89 -5.903 -12.623 8.773 1.00 54.53 O ATOM 1465 CB GLN A 89 -8.517 -14.597 7.858 1.00 30.24 C ATOM 1466 CG GLN A 89 -9.276 -13.565 8.727 1.00 53.54 C ATOM 1467 CD GLN A 89 -9.521 -12.228 8.018 1.00 22.13 C ATOM 1468 OE1 GLN A 89 -10.520 -12.053 7.330 1.00 12.21 O ATOM 1469 NE2 GLN A 89 -8.614 -11.273 8.177 1.00 22.22 N ATOM 0 H GLN A 89 -6.519 -16.078 6.840 1.00 14.33 H new ATOM 0 HA GLN A 89 -7.283 -13.205 6.739 1.00 33.32 H new ATOM 0 HB2 GLN A 89 -9.149 -14.871 7.013 1.00 30.24 H new ATOM 0 HB3 GLN A 89 -8.363 -15.501 8.448 1.00 30.24 H new ATOM 0 HG2 GLN A 89 -10.235 -13.989 9.026 1.00 53.54 H new ATOM 0 HG3 GLN A 89 -8.709 -13.384 9.640 1.00 53.54 H new ATOM 0 HE21 GLN A 89 -7.791 -11.443 8.755 1.00 22.22 H new ATOM 0 HE22 GLN A 89 -8.740 -10.369 7.722 1.00 22.22 H new ATOM 1478 N GLU A 90 -5.613 -14.857 9.093 1.00 25.54 N ATOM 1479 CA GLU A 90 -4.939 -14.801 10.415 1.00 44.25 C ATOM 1480 C GLU A 90 -3.641 -13.948 10.425 1.00 4.41 C ATOM 1481 O GLU A 90 -3.506 -13.039 11.263 1.00 15.10 O ATOM 1482 CB GLU A 90 -4.653 -16.250 10.894 1.00 14.31 C ATOM 1483 CG GLU A 90 -5.929 -17.083 11.161 1.00 1.25 C ATOM 1484 CD GLU A 90 -5.638 -18.570 11.431 1.00 44.11 C ATOM 1485 OE1 GLU A 90 -5.895 -19.412 10.542 1.00 21.30 O ATOM 1486 OE2 GLU A 90 -5.127 -18.907 12.519 1.00 41.22 O ATOM 0 H GLU A 90 -5.617 -15.792 8.685 1.00 25.54 H new ATOM 0 HA GLU A 90 -5.616 -14.296 11.104 1.00 44.25 H new ATOM 0 HB2 GLU A 90 -4.049 -16.759 10.142 1.00 14.31 H new ATOM 0 HB3 GLU A 90 -4.059 -16.210 11.807 1.00 14.31 H new ATOM 0 HG2 GLU A 90 -6.457 -16.662 12.016 1.00 1.25 H new ATOM 0 HG3 GLU A 90 -6.595 -17.000 10.302 1.00 1.25 H new ATOM 1493 N GLU A 91 -2.694 -14.243 9.505 1.00 52.10 N ATOM 1494 CA GLU A 91 -1.392 -13.527 9.424 1.00 44.40 C ATOM 1495 C GLU A 91 -1.594 -12.073 8.964 1.00 71.33 C ATOM 1496 O GLU A 91 -0.810 -11.187 9.317 1.00 32.45 O ATOM 1497 CB GLU A 91 -0.401 -14.251 8.471 1.00 20.31 C ATOM 1498 CG GLU A 91 -0.820 -14.239 6.990 1.00 21.31 C ATOM 1499 CD GLU A 91 0.113 -15.038 6.078 1.00 0.02 C ATOM 1500 OE1 GLU A 91 0.790 -14.441 5.213 1.00 13.32 O ATOM 1501 OE2 GLU A 91 0.168 -16.274 6.221 1.00 13.50 O ATOM 0 H GLU A 91 -2.805 -14.975 8.803 1.00 52.10 H new ATOM 0 HA GLU A 91 -0.962 -13.525 10.426 1.00 44.40 H new ATOM 0 HB2 GLU A 91 0.579 -13.783 8.562 1.00 20.31 H new ATOM 0 HB3 GLU A 91 -0.292 -15.285 8.797 1.00 20.31 H new ATOM 0 HG2 GLU A 91 -1.829 -14.642 6.904 1.00 21.31 H new ATOM 0 HG3 GLU A 91 -0.858 -13.207 6.641 1.00 21.31 H new ATOM 1508 N LEU A 92 -2.665 -11.853 8.170 1.00 20.45 N ATOM 1509 CA LEU A 92 -3.088 -10.512 7.741 1.00 60.34 C ATOM 1510 C LEU A 92 -3.452 -9.662 8.984 1.00 61.44 C ATOM 1511 O LEU A 92 -3.001 -8.521 9.114 1.00 60.43 O ATOM 1512 CB LEU A 92 -4.282 -10.593 6.726 1.00 34.43 C ATOM 1513 CG LEU A 92 -3.937 -10.941 5.232 1.00 11.30 C ATOM 1514 CD1 LEU A 92 -3.314 -12.341 5.076 1.00 64.32 C ATOM 1515 CD2 LEU A 92 -5.181 -10.778 4.322 1.00 22.22 C ATOM 0 H LEU A 92 -3.257 -12.603 7.812 1.00 20.45 H new ATOM 0 HA LEU A 92 -2.262 -10.028 7.219 1.00 60.34 H new ATOM 0 HB2 LEU A 92 -4.986 -11.340 7.092 1.00 34.43 H new ATOM 0 HB3 LEU A 92 -4.800 -9.634 6.738 1.00 34.43 H new ATOM 0 HG LEU A 92 -3.179 -10.226 4.911 1.00 11.30 H new ATOM 0 HD11 LEU A 92 -3.096 -12.527 4.024 1.00 64.32 H new ATOM 0 HD12 LEU A 92 -2.391 -12.395 5.653 1.00 64.32 H new ATOM 0 HD13 LEU A 92 -4.014 -13.093 5.441 1.00 64.32 H new ATOM 0 HD21 LEU A 92 -4.915 -11.025 3.294 1.00 22.22 H new ATOM 0 HD22 LEU A 92 -5.971 -11.447 4.663 1.00 22.22 H new ATOM 0 HD23 LEU A 92 -5.533 -9.747 4.368 1.00 22.22 H new ATOM 1527 N GLU A 93 -4.225 -10.272 9.915 1.00 21.23 N ATOM 1528 CA GLU A 93 -4.657 -9.631 11.184 1.00 30.55 C ATOM 1529 C GLU A 93 -3.467 -9.332 12.126 1.00 62.13 C ATOM 1530 O GLU A 93 -3.533 -8.395 12.931 1.00 54.14 O ATOM 1531 CB GLU A 93 -5.693 -10.525 11.914 1.00 32.53 C ATOM 1532 CG GLU A 93 -7.016 -10.723 11.153 1.00 4.24 C ATOM 1533 CD GLU A 93 -7.976 -11.687 11.868 1.00 22.51 C ATOM 1534 OE1 GLU A 93 -8.899 -11.221 12.569 1.00 53.31 O ATOM 1535 OE2 GLU A 93 -7.788 -12.920 11.753 1.00 22.42 O ATOM 0 H GLU A 93 -4.568 -11.226 9.808 1.00 21.23 H new ATOM 0 HA GLU A 93 -5.116 -8.678 10.920 1.00 30.55 H new ATOM 0 HB2 GLU A 93 -5.245 -11.502 12.098 1.00 32.53 H new ATOM 0 HB3 GLU A 93 -5.911 -10.086 12.887 1.00 32.53 H new ATOM 0 HG2 GLU A 93 -7.505 -9.757 11.027 1.00 4.24 H new ATOM 0 HG3 GLU A 93 -6.802 -11.105 10.155 1.00 4.24 H new ATOM 1542 N ARG A 94 -2.389 -10.133 12.012 1.00 23.53 N ATOM 1543 CA ARG A 94 -1.159 -9.948 12.808 1.00 0.52 C ATOM 1544 C ARG A 94 -0.482 -8.613 12.445 1.00 14.44 C ATOM 1545 O ARG A 94 -0.210 -7.780 13.319 1.00 14.11 O ATOM 1546 CB ARG A 94 -0.187 -11.140 12.579 1.00 52.40 C ATOM 1547 CG ARG A 94 1.159 -11.035 13.335 1.00 51.42 C ATOM 1548 CD ARG A 94 0.992 -10.976 14.866 1.00 14.11 C ATOM 1549 NE ARG A 94 2.283 -10.813 15.558 1.00 71.41 N ATOM 1550 CZ ARG A 94 2.528 -11.178 16.829 1.00 74.23 C ATOM 1551 NH1 ARG A 94 1.574 -11.731 17.580 1.00 4.02 N ATOM 1552 NH2 ARG A 94 3.736 -10.993 17.342 1.00 12.03 N ATOM 0 H ARG A 94 -2.346 -10.923 11.368 1.00 23.53 H new ATOM 0 HA ARG A 94 -1.425 -9.919 13.865 1.00 0.52 H new ATOM 0 HB2 ARG A 94 -0.686 -12.061 12.881 1.00 52.40 H new ATOM 0 HB3 ARG A 94 0.018 -11.224 11.512 1.00 52.40 H new ATOM 0 HG2 ARG A 94 1.781 -11.892 13.077 1.00 51.42 H new ATOM 0 HG3 ARG A 94 1.689 -10.143 12.999 1.00 51.42 H new ATOM 0 HD2 ARG A 94 0.334 -10.147 15.127 1.00 14.11 H new ATOM 0 HD3 ARG A 94 0.508 -11.889 15.213 1.00 14.11 H new ATOM 0 HE ARG A 94 3.049 -10.391 15.033 1.00 71.41 H new ATOM 0 HH11 ARG A 94 0.643 -11.882 17.192 1.00 4.02 H new ATOM 0 HH12 ARG A 94 1.776 -12.002 18.542 1.00 4.02 H new ATOM 0 HH21 ARG A 94 4.473 -10.576 16.774 1.00 12.03 H new ATOM 0 HH22 ARG A 94 3.929 -11.268 18.305 1.00 12.03 H new ATOM 1566 N ILE A 95 -0.261 -8.420 11.133 1.00 11.03 N ATOM 1567 CA ILE A 95 0.339 -7.196 10.582 1.00 60.11 C ATOM 1568 C ILE A 95 -0.588 -5.990 10.884 1.00 10.55 C ATOM 1569 O ILE A 95 -0.149 -4.958 11.372 1.00 21.40 O ATOM 1570 CB ILE A 95 0.575 -7.337 9.024 1.00 3.41 C ATOM 1571 CG1 ILE A 95 1.276 -8.697 8.674 1.00 25.33 C ATOM 1572 CG2 ILE A 95 1.394 -6.143 8.484 1.00 42.13 C ATOM 1573 CD1 ILE A 95 1.467 -8.958 7.182 1.00 74.23 C ATOM 0 H ILE A 95 -0.495 -9.113 10.423 1.00 11.03 H new ATOM 0 HA ILE A 95 1.309 -7.033 11.052 1.00 60.11 H new ATOM 0 HB ILE A 95 -0.401 -7.331 8.538 1.00 3.41 H new ATOM 0 HG12 ILE A 95 2.251 -8.721 9.160 1.00 25.33 H new ATOM 0 HG13 ILE A 95 0.688 -9.511 9.098 1.00 25.33 H new ATOM 0 HG21 ILE A 95 1.544 -6.261 7.411 1.00 42.13 H new ATOM 0 HG22 ILE A 95 0.854 -5.215 8.675 1.00 42.13 H new ATOM 0 HG23 ILE A 95 2.362 -6.110 8.984 1.00 42.13 H new ATOM 0 HD11 ILE A 95 1.959 -9.920 7.041 1.00 74.23 H new ATOM 0 HD12 ILE A 95 0.496 -8.971 6.688 1.00 74.23 H new ATOM 0 HD13 ILE A 95 2.083 -8.169 6.751 1.00 74.23 H new ATOM 1585 N TYR A 96 -1.893 -6.211 10.657 1.00 73.35 N ATOM 1586 CA TYR A 96 -2.989 -5.238 10.884 1.00 33.20 C ATOM 1587 C TYR A 96 -2.991 -4.664 12.317 1.00 22.33 C ATOM 1588 O TYR A 96 -3.252 -3.471 12.501 1.00 71.25 O ATOM 1589 CB TYR A 96 -4.318 -5.986 10.585 1.00 65.12 C ATOM 1590 CG TYR A 96 -5.638 -5.219 10.748 1.00 41.43 C ATOM 1591 CD1 TYR A 96 -6.215 -4.540 9.675 1.00 71.25 C ATOM 1592 CD2 TYR A 96 -6.335 -5.222 11.963 1.00 4.34 C ATOM 1593 CE1 TYR A 96 -7.427 -3.892 9.808 1.00 2.33 C ATOM 1594 CE2 TYR A 96 -7.541 -4.568 12.096 1.00 3.41 C ATOM 1595 CZ TYR A 96 -8.082 -3.905 11.020 1.00 70.25 C ATOM 1596 OH TYR A 96 -9.282 -3.242 11.161 1.00 63.15 O ATOM 0 H TYR A 96 -2.233 -7.103 10.297 1.00 73.35 H new ATOM 0 HA TYR A 96 -2.857 -4.377 10.229 1.00 33.20 H new ATOM 0 HB2 TYR A 96 -4.270 -6.351 9.559 1.00 65.12 H new ATOM 0 HB3 TYR A 96 -4.360 -6.861 11.233 1.00 65.12 H new ATOM 0 HD1 TYR A 96 -5.705 -4.521 8.723 1.00 71.25 H new ATOM 0 HD2 TYR A 96 -5.920 -5.746 12.811 1.00 4.34 H new ATOM 0 HE1 TYR A 96 -7.861 -3.376 8.964 1.00 2.33 H new ATOM 0 HE2 TYR A 96 -8.060 -4.576 13.043 1.00 3.41 H new ATOM 0 HH TYR A 96 -9.611 -3.352 12.078 1.00 63.15 H new ATOM 1606 N GLU A 97 -2.694 -5.530 13.309 1.00 52.02 N ATOM 1607 CA GLU A 97 -2.688 -5.157 14.739 1.00 3.43 C ATOM 1608 C GLU A 97 -1.619 -4.083 15.026 1.00 42.10 C ATOM 1609 O GLU A 97 -1.921 -3.020 15.587 1.00 52.31 O ATOM 1610 CB GLU A 97 -2.420 -6.414 15.613 1.00 23.45 C ATOM 1611 CG GLU A 97 -2.562 -6.183 17.137 1.00 52.24 C ATOM 1612 CD GLU A 97 -3.994 -5.798 17.554 1.00 31.21 C ATOM 1613 OE1 GLU A 97 -4.258 -4.606 17.835 1.00 22.35 O ATOM 1614 OE2 GLU A 97 -4.871 -6.690 17.576 1.00 61.12 O ATOM 0 H GLU A 97 -2.452 -6.506 13.141 1.00 52.02 H new ATOM 0 HA GLU A 97 -3.665 -4.743 14.988 1.00 3.43 H new ATOM 0 HB2 GLU A 97 -3.110 -7.203 15.313 1.00 23.45 H new ATOM 0 HB3 GLU A 97 -1.413 -6.776 15.406 1.00 23.45 H new ATOM 0 HG2 GLU A 97 -2.266 -7.089 17.666 1.00 52.24 H new ATOM 0 HG3 GLU A 97 -1.875 -5.395 17.446 1.00 52.24 H new ATOM 1621 N GLN A 98 -0.376 -4.390 14.601 1.00 61.41 N ATOM 1622 CA GLN A 98 0.790 -3.498 14.730 1.00 65.54 C ATOM 1623 C GLN A 98 0.545 -2.171 13.988 1.00 10.34 C ATOM 1624 O GLN A 98 0.667 -1.080 14.558 1.00 72.22 O ATOM 1625 CB GLN A 98 2.044 -4.230 14.146 1.00 1.54 C ATOM 1626 CG GLN A 98 3.322 -3.370 13.978 1.00 64.11 C ATOM 1627 CD GLN A 98 3.895 -2.810 15.280 1.00 64.40 C ATOM 1628 OE1 GLN A 98 3.786 -3.417 16.348 1.00 32.02 O ATOM 1629 NE2 GLN A 98 4.513 -1.640 15.204 1.00 63.51 N ATOM 0 H GLN A 98 -0.153 -5.278 14.152 1.00 61.41 H new ATOM 0 HA GLN A 98 0.956 -3.262 15.781 1.00 65.54 H new ATOM 0 HB2 GLN A 98 2.281 -5.073 14.795 1.00 1.54 H new ATOM 0 HB3 GLN A 98 1.778 -4.642 13.173 1.00 1.54 H new ATOM 0 HG2 GLN A 98 4.088 -3.974 13.491 1.00 64.11 H new ATOM 0 HG3 GLN A 98 3.098 -2.539 13.309 1.00 64.11 H new ATOM 0 HE21 GLN A 98 4.588 -1.160 14.307 1.00 63.51 H new ATOM 0 HE22 GLN A 98 4.913 -1.219 16.043 1.00 63.51 H new ATOM 1638 N LEU A 99 0.125 -2.312 12.729 1.00 74.23 N ATOM 1639 CA LEU A 99 -0.003 -1.212 11.765 1.00 33.11 C ATOM 1640 C LEU A 99 -1.154 -0.241 12.108 1.00 33.54 C ATOM 1641 O LEU A 99 -1.099 0.939 11.737 1.00 74.43 O ATOM 1642 CB LEU A 99 -0.156 -1.813 10.333 1.00 40.33 C ATOM 1643 CG LEU A 99 1.171 -2.117 9.567 1.00 2.12 C ATOM 1644 CD1 LEU A 99 1.898 -0.812 9.248 1.00 33.24 C ATOM 1645 CD2 LEU A 99 2.103 -3.094 10.322 1.00 73.44 C ATOM 0 H LEU A 99 -0.143 -3.216 12.340 1.00 74.23 H new ATOM 0 HA LEU A 99 0.902 -0.607 11.812 1.00 33.11 H new ATOM 0 HB2 LEU A 99 -0.727 -2.738 10.409 1.00 40.33 H new ATOM 0 HB3 LEU A 99 -0.747 -1.122 9.733 1.00 40.33 H new ATOM 0 HG LEU A 99 0.895 -2.620 8.640 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.822 -1.032 8.714 1.00 33.24 H new ATOM 0 HD12 LEU A 99 1.261 -0.183 8.627 1.00 33.24 H new ATOM 0 HD13 LEU A 99 2.130 -0.289 10.176 1.00 33.24 H new ATOM 0 HD21 LEU A 99 3.006 -3.262 9.735 1.00 73.44 H new ATOM 0 HD22 LEU A 99 2.372 -2.667 11.288 1.00 73.44 H new ATOM 0 HD23 LEU A 99 1.588 -4.042 10.476 1.00 73.44 H new ATOM 1657 N LYS A 100 -2.187 -0.741 12.814 1.00 30.52 N ATOM 1658 CA LYS A 100 -3.311 0.100 13.288 1.00 40.43 C ATOM 1659 C LYS A 100 -2.821 1.089 14.357 1.00 44.21 C ATOM 1660 O LYS A 100 -3.174 2.273 14.330 1.00 45.02 O ATOM 1661 CB LYS A 100 -4.474 -0.769 13.860 1.00 3.24 C ATOM 1662 CG LYS A 100 -5.624 0.046 14.521 1.00 44.41 C ATOM 1663 CD LYS A 100 -6.813 -0.827 14.989 1.00 33.33 C ATOM 1664 CE LYS A 100 -7.648 -1.381 13.823 1.00 25.52 C ATOM 1665 NZ LYS A 100 -8.279 -0.293 13.028 1.00 54.21 N ATOM 0 H LYS A 100 -2.269 -1.725 13.071 1.00 30.52 H new ATOM 0 HA LYS A 100 -3.694 0.655 12.432 1.00 40.43 H new ATOM 0 HB2 LYS A 100 -4.890 -1.372 13.053 1.00 3.24 H new ATOM 0 HB3 LYS A 100 -4.066 -1.460 14.597 1.00 3.24 H new ATOM 0 HG2 LYS A 100 -5.226 0.592 15.377 1.00 44.41 H new ATOM 0 HG3 LYS A 100 -5.987 0.788 13.810 1.00 44.41 H new ATOM 0 HD2 LYS A 100 -6.434 -1.658 15.584 1.00 33.33 H new ATOM 0 HD3 LYS A 100 -7.456 -0.236 15.640 1.00 33.33 H new ATOM 0 HE2 LYS A 100 -7.012 -1.983 13.174 1.00 25.52 H new ATOM 0 HE3 LYS A 100 -8.422 -2.042 14.212 1.00 25.52 H new ATOM 0 HZ1 LYS A 100 -9.012 -0.695 12.410 1.00 54.21 H new ATOM 0 HZ2 LYS A 100 -8.711 0.401 13.671 1.00 54.21 H new ATOM 0 HZ3 LYS A 100 -7.556 0.177 12.447 1.00 54.21 H new ATOM 1679 N LYS A 101 -1.972 0.587 15.273 1.00 32.45 N ATOM 1680 CA LYS A 101 -1.469 1.363 16.425 1.00 31.21 C ATOM 1681 C LYS A 101 -0.488 2.471 15.992 1.00 72.31 C ATOM 1682 O LYS A 101 -0.280 3.438 16.729 1.00 13.32 O ATOM 1683 CB LYS A 101 -0.809 0.412 17.457 1.00 51.43 C ATOM 1684 CG LYS A 101 -1.749 -0.697 17.975 1.00 25.45 C ATOM 1685 CD LYS A 101 -1.063 -1.630 18.997 1.00 71.11 C ATOM 1686 CE LYS A 101 -1.972 -2.786 19.428 1.00 44.24 C ATOM 1687 NZ LYS A 101 -1.316 -3.679 20.414 1.00 12.22 N ATOM 0 H LYS A 101 -1.615 -0.368 15.236 1.00 32.45 H new ATOM 0 HA LYS A 101 -2.320 1.859 16.891 1.00 31.21 H new ATOM 0 HB2 LYS A 101 0.067 -0.051 17.002 1.00 51.43 H new ATOM 0 HB3 LYS A 101 -0.455 1.000 18.304 1.00 51.43 H new ATOM 0 HG2 LYS A 101 -2.624 -0.240 18.437 1.00 25.45 H new ATOM 0 HG3 LYS A 101 -2.106 -1.288 17.132 1.00 25.45 H new ATOM 0 HD2 LYS A 101 -0.148 -2.032 18.562 1.00 71.11 H new ATOM 0 HD3 LYS A 101 -0.772 -1.053 19.875 1.00 71.11 H new ATOM 0 HE2 LYS A 101 -2.889 -2.383 19.859 1.00 44.24 H new ATOM 0 HE3 LYS A 101 -2.260 -3.366 18.551 1.00 44.24 H new ATOM 0 HZ1 LYS A 101 -1.968 -4.446 20.676 1.00 12.22 H new ATOM 0 HZ2 LYS A 101 -0.455 -4.085 19.996 1.00 12.22 H new ATOM 0 HZ3 LYS A 101 -1.064 -3.133 21.263 1.00 12.22 H new ATOM 1701 N ASP A 102 0.099 2.322 14.786 1.00 5.42 N ATOM 1702 CA ASP A 102 0.949 3.365 14.165 1.00 70.43 C ATOM 1703 C ASP A 102 0.118 4.589 13.708 1.00 13.30 C ATOM 1704 O ASP A 102 0.691 5.622 13.344 1.00 65.14 O ATOM 1705 CB ASP A 102 1.756 2.781 12.968 1.00 53.44 C ATOM 1706 CG ASP A 102 2.886 1.836 13.406 1.00 55.31 C ATOM 1707 OD1 ASP A 102 3.889 2.328 13.972 1.00 54.01 O ATOM 1708 OD2 ASP A 102 2.782 0.606 13.202 1.00 11.33 O ATOM 0 H ASP A 102 -0.001 1.482 14.217 1.00 5.42 H new ATOM 0 HA ASP A 102 1.649 3.706 14.928 1.00 70.43 H new ATOM 0 HB2 ASP A 102 1.076 2.243 12.307 1.00 53.44 H new ATOM 0 HB3 ASP A 102 2.180 3.601 12.389 1.00 53.44 H new ATOM 1713 N GLY A 103 -1.227 4.467 13.744 1.00 2.44 N ATOM 1714 CA GLY A 103 -2.134 5.549 13.340 1.00 2.45 C ATOM 1715 C GLY A 103 -2.329 5.573 11.836 1.00 53.23 C ATOM 1716 O GLY A 103 -2.416 6.640 11.217 1.00 1.34 O ATOM 0 H GLY A 103 -1.706 3.621 14.052 1.00 2.44 H new ATOM 0 HA2 GLY A 103 -3.098 5.421 13.832 1.00 2.45 H new ATOM 0 HA3 GLY A 103 -1.732 6.506 13.672 1.00 2.45 H new ATOM 1720 N VAL A 104 -2.376 4.371 11.250 1.00 34.51 N ATOM 1721 CA VAL A 104 -2.492 4.158 9.795 1.00 31.33 C ATOM 1722 C VAL A 104 -3.862 3.548 9.483 1.00 44.45 C ATOM 1723 O VAL A 104 -4.343 2.709 10.255 1.00 44.35 O ATOM 1724 CB VAL A 104 -1.355 3.179 9.298 1.00 10.41 C ATOM 1725 CG1 VAL A 104 -1.450 2.888 7.784 1.00 52.43 C ATOM 1726 CG2 VAL A 104 0.034 3.735 9.668 1.00 42.54 C ATOM 0 H VAL A 104 -2.334 3.500 11.780 1.00 34.51 H new ATOM 0 HA VAL A 104 -2.386 5.114 9.282 1.00 31.33 H new ATOM 0 HB VAL A 104 -1.500 2.227 9.810 1.00 10.41 H new ATOM 0 HG11 VAL A 104 -0.647 2.211 7.493 1.00 52.43 H new ATOM 0 HG12 VAL A 104 -2.412 2.427 7.562 1.00 52.43 H new ATOM 0 HG13 VAL A 104 -1.358 3.821 7.228 1.00 52.43 H new ATOM 0 HG21 VAL A 104 0.805 3.049 9.319 1.00 42.54 H new ATOM 0 HG22 VAL A 104 0.174 4.708 9.197 1.00 42.54 H new ATOM 0 HG23 VAL A 104 0.107 3.842 10.750 1.00 42.54 H new ATOM 1736 N ASP A 105 -4.487 3.964 8.362 1.00 1.23 N ATOM 1737 CA ASP A 105 -5.710 3.318 7.876 1.00 2.33 C ATOM 1738 C ASP A 105 -5.325 1.971 7.238 1.00 11.22 C ATOM 1739 O ASP A 105 -4.721 1.917 6.153 1.00 15.21 O ATOM 1740 CB ASP A 105 -6.460 4.218 6.864 1.00 51.22 C ATOM 1741 CG ASP A 105 -7.693 3.541 6.224 1.00 74.30 C ATOM 1742 OD1 ASP A 105 -8.596 3.092 6.960 1.00 52.24 O ATOM 1743 OD2 ASP A 105 -7.778 3.472 4.981 1.00 12.01 O ATOM 0 H ASP A 105 -4.163 4.740 7.784 1.00 1.23 H new ATOM 0 HA ASP A 105 -6.390 3.151 8.711 1.00 2.33 H new ATOM 0 HB2 ASP A 105 -6.779 5.130 7.369 1.00 51.22 H new ATOM 0 HB3 ASP A 105 -5.770 4.515 6.075 1.00 51.22 H new ATOM 1748 N VAL A 106 -5.644 0.902 7.968 1.00 30.42 N ATOM 1749 CA VAL A 106 -5.298 -0.478 7.614 1.00 72.01 C ATOM 1750 C VAL A 106 -6.568 -1.285 7.339 1.00 70.24 C ATOM 1751 O VAL A 106 -7.637 -0.980 7.877 1.00 44.14 O ATOM 1752 CB VAL A 106 -4.453 -1.135 8.768 1.00 64.20 C ATOM 1753 CG1 VAL A 106 -3.091 -0.429 8.908 1.00 73.32 C ATOM 1754 CG2 VAL A 106 -5.213 -1.107 10.122 1.00 21.13 C ATOM 0 H VAL A 106 -6.163 0.972 8.843 1.00 30.42 H new ATOM 0 HA VAL A 106 -4.694 -0.474 6.707 1.00 72.01 H new ATOM 0 HB VAL A 106 -4.287 -2.178 8.500 1.00 64.20 H new ATOM 0 HG11 VAL A 106 -2.520 -0.896 9.710 1.00 73.32 H new ATOM 0 HG12 VAL A 106 -2.539 -0.515 7.972 1.00 73.32 H new ATOM 0 HG13 VAL A 106 -3.249 0.624 9.141 1.00 73.32 H new ATOM 0 HG21 VAL A 106 -4.598 -1.569 10.894 1.00 21.13 H new ATOM 0 HG22 VAL A 106 -5.427 -0.074 10.398 1.00 21.13 H new ATOM 0 HG23 VAL A 106 -6.149 -1.658 10.025 1.00 21.13 H new ATOM 1764 N ARG A 107 -6.444 -2.302 6.481 1.00 54.24 N ATOM 1765 CA ARG A 107 -7.569 -3.157 6.085 1.00 61.33 C ATOM 1766 C ARG A 107 -7.058 -4.528 5.642 1.00 72.25 C ATOM 1767 O ARG A 107 -6.040 -4.626 4.943 1.00 54.44 O ATOM 1768 CB ARG A 107 -8.391 -2.462 4.966 1.00 1.02 C ATOM 1769 CG ARG A 107 -7.580 -2.035 3.707 1.00 23.12 C ATOM 1770 CD ARG A 107 -8.371 -1.072 2.806 1.00 24.22 C ATOM 1771 NE ARG A 107 -8.720 0.172 3.526 1.00 21.33 N ATOM 1772 CZ ARG A 107 -9.906 0.799 3.473 1.00 50.52 C ATOM 1773 NH1 ARG A 107 -10.897 0.319 2.739 1.00 11.31 N ATOM 1774 NH2 ARG A 107 -10.095 1.910 4.169 1.00 12.13 N ATOM 0 H ARG A 107 -5.560 -2.557 6.040 1.00 54.24 H new ATOM 0 HA ARG A 107 -8.228 -3.311 6.939 1.00 61.33 H new ATOM 0 HB2 ARG A 107 -9.188 -3.136 4.652 1.00 1.02 H new ATOM 0 HB3 ARG A 107 -8.869 -1.577 5.386 1.00 1.02 H new ATOM 0 HG2 ARG A 107 -6.652 -1.557 4.020 1.00 23.12 H new ATOM 0 HG3 ARG A 107 -7.306 -2.922 3.136 1.00 23.12 H new ATOM 0 HD2 ARG A 107 -7.781 -0.830 1.922 1.00 24.22 H new ATOM 0 HD3 ARG A 107 -9.281 -1.561 2.458 1.00 24.22 H new ATOM 0 HE ARG A 107 -7.998 0.589 4.113 1.00 21.33 H new ATOM 0 HH11 ARG A 107 -10.766 -0.539 2.203 1.00 11.31 H new ATOM 0 HH12 ARG A 107 -11.792 0.807 2.709 1.00 11.31 H new ATOM 0 HH21 ARG A 107 -9.341 2.287 4.743 1.00 12.13 H new ATOM 0 HH22 ARG A 107 -10.995 2.389 4.131 1.00 12.13 H new ATOM 1788 N VAL A 108 -7.760 -5.587 6.084 1.00 74.40 N ATOM 1789 CA VAL A 108 -7.436 -6.982 5.750 1.00 22.33 C ATOM 1790 C VAL A 108 -8.695 -7.711 5.280 1.00 74.15 C ATOM 1791 O VAL A 108 -9.774 -7.515 5.852 1.00 4.33 O ATOM 1792 CB VAL A 108 -6.789 -7.752 6.965 1.00 55.33 C ATOM 1793 CG1 VAL A 108 -5.412 -7.166 7.292 1.00 22.03 C ATOM 1794 CG2 VAL A 108 -7.696 -7.764 8.226 1.00 33.30 C ATOM 0 H VAL A 108 -8.576 -5.495 6.689 1.00 74.40 H new ATOM 0 HA VAL A 108 -6.699 -6.963 4.947 1.00 22.33 H new ATOM 0 HB VAL A 108 -6.674 -8.792 6.658 1.00 55.33 H new ATOM 0 HG11 VAL A 108 -4.977 -7.707 8.132 1.00 22.03 H new ATOM 0 HG12 VAL A 108 -4.761 -7.261 6.423 1.00 22.03 H new ATOM 0 HG13 VAL A 108 -5.517 -6.113 7.553 1.00 22.03 H new ATOM 0 HG21 VAL A 108 -7.197 -8.308 9.028 1.00 33.30 H new ATOM 0 HG22 VAL A 108 -7.887 -6.740 8.547 1.00 33.30 H new ATOM 0 HG23 VAL A 108 -8.641 -8.252 7.990 1.00 33.30 H new ATOM 1804 N THR A 109 -8.554 -8.521 4.219 1.00 71.15 N ATOM 1805 CA THR A 109 -9.651 -9.345 3.689 1.00 62.10 C ATOM 1806 C THR A 109 -9.081 -10.449 2.780 1.00 35.33 C ATOM 1807 O THR A 109 -8.018 -10.277 2.169 1.00 73.53 O ATOM 1808 CB THR A 109 -10.725 -8.475 2.917 1.00 52.21 C ATOM 1809 OG1 THR A 109 -11.876 -9.265 2.613 1.00 55.55 O ATOM 1810 CG2 THR A 109 -10.185 -7.856 1.613 1.00 44.14 C ATOM 0 H THR A 109 -7.678 -8.623 3.706 1.00 71.15 H new ATOM 0 HA THR A 109 -10.165 -9.806 4.532 1.00 62.10 H new ATOM 0 HB THR A 109 -10.986 -7.655 3.586 1.00 52.21 H new ATOM 0 HG1 THR A 109 -12.671 -8.692 2.594 1.00 55.55 H new ATOM 0 HG21 THR A 109 -10.972 -7.273 1.134 1.00 44.14 H new ATOM 0 HG22 THR A 109 -9.340 -7.207 1.841 1.00 44.14 H new ATOM 0 HG23 THR A 109 -9.861 -8.650 0.940 1.00 44.14 H new ATOM 1818 N ASP A 110 -9.786 -11.585 2.724 1.00 22.40 N ATOM 1819 CA ASP A 110 -9.469 -12.698 1.816 1.00 73.42 C ATOM 1820 C ASP A 110 -10.651 -12.902 0.858 1.00 4.04 C ATOM 1821 O ASP A 110 -11.632 -13.591 1.193 1.00 60.42 O ATOM 1822 CB ASP A 110 -9.135 -13.995 2.618 1.00 34.12 C ATOM 1823 CG ASP A 110 -9.111 -15.282 1.761 1.00 1.23 C ATOM 1824 OD1 ASP A 110 -9.861 -16.240 2.065 1.00 54.45 O ATOM 1825 OD2 ASP A 110 -8.368 -15.342 0.774 1.00 64.50 O ATOM 0 H ASP A 110 -10.600 -11.761 3.312 1.00 22.40 H new ATOM 0 HA ASP A 110 -8.580 -12.459 1.232 1.00 73.42 H new ATOM 0 HB2 ASP A 110 -8.163 -13.873 3.097 1.00 34.12 H new ATOM 0 HB3 ASP A 110 -9.870 -14.116 3.414 1.00 34.12 H new ATOM 1830 N ASN A 111 -10.566 -12.206 -0.290 1.00 23.53 N ATOM 1831 CA ASN A 111 -11.460 -12.377 -1.453 1.00 20.12 C ATOM 1832 C ASN A 111 -10.963 -11.479 -2.614 1.00 14.53 C ATOM 1833 O ASN A 111 -9.999 -10.724 -2.456 1.00 74.05 O ATOM 1834 CB ASN A 111 -12.964 -12.093 -1.126 1.00 42.34 C ATOM 1835 CG ASN A 111 -13.252 -10.633 -0.822 1.00 33.50 C ATOM 1836 OD1 ASN A 111 -13.553 -9.857 -1.714 1.00 11.34 O ATOM 1837 ND2 ASN A 111 -13.144 -10.246 0.432 1.00 74.01 N ATOM 0 H ASN A 111 -9.855 -11.490 -0.440 1.00 23.53 H new ATOM 0 HA ASN A 111 -11.418 -13.425 -1.749 1.00 20.12 H new ATOM 0 HB2 ASN A 111 -13.577 -12.408 -1.970 1.00 42.34 H new ATOM 0 HB3 ASN A 111 -13.263 -12.700 -0.271 1.00 42.34 H new ATOM 0 HD21 ASN A 111 -13.314 -9.272 0.681 1.00 74.01 H new ATOM 0 HD22 ASN A 111 -12.891 -10.921 1.154 1.00 74.01 H new ATOM 1844 N GLU A 112 -11.653 -11.565 -3.759 1.00 31.25 N ATOM 1845 CA GLU A 112 -11.220 -10.956 -5.037 1.00 10.30 C ATOM 1846 C GLU A 112 -12.010 -9.656 -5.365 1.00 25.42 C ATOM 1847 O GLU A 112 -11.482 -8.739 -6.019 1.00 32.30 O ATOM 1848 CB GLU A 112 -11.403 -12.027 -6.153 1.00 23.35 C ATOM 1849 CG GLU A 112 -10.778 -11.673 -7.508 1.00 43.01 C ATOM 1850 CD GLU A 112 -10.888 -12.814 -8.534 1.00 43.01 C ATOM 1851 OE1 GLU A 112 -11.832 -12.806 -9.356 1.00 14.11 O ATOM 1852 OE2 GLU A 112 -10.037 -13.735 -8.508 1.00 72.10 O ATOM 0 H GLU A 112 -12.539 -12.064 -3.831 1.00 31.25 H new ATOM 0 HA GLU A 112 -10.175 -10.656 -4.964 1.00 10.30 H new ATOM 0 HB2 GLU A 112 -10.972 -12.966 -5.807 1.00 23.35 H new ATOM 0 HB3 GLU A 112 -12.470 -12.200 -6.297 1.00 23.35 H new ATOM 0 HG2 GLU A 112 -11.267 -10.784 -7.907 1.00 43.01 H new ATOM 0 HG3 GLU A 112 -9.727 -11.421 -7.363 1.00 43.01 H new ATOM 1859 N ASP A 113 -13.269 -9.590 -4.887 1.00 44.20 N ATOM 1860 CA ASP A 113 -14.203 -8.473 -5.182 1.00 62.12 C ATOM 1861 C ASP A 113 -13.857 -7.220 -4.352 1.00 21.12 C ATOM 1862 O ASP A 113 -13.501 -6.170 -4.903 1.00 64.11 O ATOM 1863 CB ASP A 113 -15.671 -8.896 -4.884 1.00 70.15 C ATOM 1864 CG ASP A 113 -16.192 -10.015 -5.798 1.00 73.52 C ATOM 1865 OD1 ASP A 113 -15.835 -11.193 -5.574 1.00 1.45 O ATOM 1866 OD2 ASP A 113 -16.968 -9.725 -6.738 1.00 64.11 O ATOM 0 H ASP A 113 -13.672 -10.308 -4.285 1.00 44.20 H new ATOM 0 HA ASP A 113 -14.100 -8.232 -6.240 1.00 62.12 H new ATOM 0 HB2 ASP A 113 -15.741 -9.225 -3.847 1.00 70.15 H new ATOM 0 HB3 ASP A 113 -16.318 -8.025 -4.987 1.00 70.15 H new ATOM 1871 N GLU A 114 -13.962 -7.369 -3.015 1.00 11.04 N ATOM 1872 CA GLU A 114 -13.808 -6.270 -2.043 1.00 15.25 C ATOM 1873 C GLU A 114 -12.404 -5.646 -2.124 1.00 52.43 C ATOM 1874 O GLU A 114 -12.243 -4.440 -1.909 1.00 20.24 O ATOM 1875 CB GLU A 114 -14.092 -6.788 -0.603 1.00 11.32 C ATOM 1876 CG GLU A 114 -14.286 -5.685 0.462 1.00 35.31 C ATOM 1877 CD GLU A 114 -15.595 -4.883 0.279 1.00 35.30 C ATOM 1878 OE1 GLU A 114 -16.572 -5.134 1.018 1.00 34.10 O ATOM 1879 OE2 GLU A 114 -15.650 -3.995 -0.592 1.00 74.40 O ATOM 0 H GLU A 114 -14.159 -8.268 -2.576 1.00 11.04 H new ATOM 0 HA GLU A 114 -14.531 -5.493 -2.290 1.00 15.25 H new ATOM 0 HB2 GLU A 114 -14.987 -7.410 -0.627 1.00 11.32 H new ATOM 0 HB3 GLU A 114 -13.266 -7.429 -0.294 1.00 11.32 H new ATOM 0 HG2 GLU A 114 -14.283 -6.141 1.452 1.00 35.31 H new ATOM 0 HG3 GLU A 114 -13.439 -4.999 0.424 1.00 35.31 H new ATOM 1886 N ALA A 115 -11.414 -6.491 -2.470 1.00 11.10 N ATOM 1887 CA ALA A 115 -10.017 -6.086 -2.690 1.00 75.33 C ATOM 1888 C ALA A 115 -9.918 -4.885 -3.653 1.00 50.24 C ATOM 1889 O ALA A 115 -9.301 -3.866 -3.331 1.00 33.32 O ATOM 1890 CB ALA A 115 -9.226 -7.280 -3.247 1.00 42.13 C ATOM 0 H ALA A 115 -11.568 -7.490 -2.606 1.00 11.10 H new ATOM 0 HA ALA A 115 -9.594 -5.774 -1.735 1.00 75.33 H new ATOM 0 HB1 ALA A 115 -8.190 -6.985 -3.412 1.00 42.13 H new ATOM 0 HB2 ALA A 115 -9.260 -8.103 -2.534 1.00 42.13 H new ATOM 0 HB3 ALA A 115 -9.667 -7.600 -4.191 1.00 42.13 H new ATOM 1896 N LYS A 116 -10.599 -5.020 -4.807 1.00 33.35 N ATOM 1897 CA LYS A 116 -10.585 -4.018 -5.889 1.00 1.23 C ATOM 1898 C LYS A 116 -11.309 -2.710 -5.489 1.00 41.33 C ATOM 1899 O LYS A 116 -10.871 -1.613 -5.862 1.00 40.45 O ATOM 1900 CB LYS A 116 -11.234 -4.615 -7.161 1.00 13.41 C ATOM 1901 CG LYS A 116 -10.501 -5.848 -7.733 1.00 14.14 C ATOM 1902 CD LYS A 116 -11.143 -6.352 -9.048 1.00 21.41 C ATOM 1903 CE LYS A 116 -10.377 -7.530 -9.667 1.00 12.24 C ATOM 1904 NZ LYS A 116 -10.396 -8.731 -8.794 1.00 13.51 N ATOM 0 H LYS A 116 -11.178 -5.833 -5.016 1.00 33.35 H new ATOM 0 HA LYS A 116 -9.544 -3.763 -6.087 1.00 1.23 H new ATOM 0 HB2 LYS A 116 -12.263 -4.893 -6.933 1.00 13.41 H new ATOM 0 HB3 LYS A 116 -11.275 -3.843 -7.930 1.00 13.41 H new ATOM 0 HG2 LYS A 116 -9.456 -5.596 -7.914 1.00 14.14 H new ATOM 0 HG3 LYS A 116 -10.512 -6.650 -6.995 1.00 14.14 H new ATOM 0 HD2 LYS A 116 -12.172 -6.655 -8.853 1.00 21.41 H new ATOM 0 HD3 LYS A 116 -11.183 -5.532 -9.766 1.00 21.41 H new ATOM 0 HE2 LYS A 116 -10.815 -7.778 -10.634 1.00 12.24 H new ATOM 0 HE3 LYS A 116 -9.345 -7.233 -9.852 1.00 12.24 H new ATOM 0 HZ1 LYS A 116 -9.987 -9.539 -9.306 1.00 13.51 H new ATOM 0 HZ2 LYS A 116 -9.838 -8.546 -7.936 1.00 13.51 H new ATOM 0 HZ3 LYS A 116 -11.377 -8.951 -8.527 1.00 13.51 H new ATOM 1918 N LYS A 117 -12.409 -2.849 -4.717 1.00 1.23 N ATOM 1919 CA LYS A 117 -13.243 -1.707 -4.283 1.00 51.32 C ATOM 1920 C LYS A 117 -12.461 -0.807 -3.313 1.00 55.30 C ATOM 1921 O LYS A 117 -12.400 0.415 -3.488 1.00 75.35 O ATOM 1922 CB LYS A 117 -14.546 -2.199 -3.595 1.00 72.45 C ATOM 1923 CG LYS A 117 -15.433 -3.121 -4.456 1.00 65.42 C ATOM 1924 CD LYS A 117 -16.802 -3.387 -3.783 1.00 61.50 C ATOM 1925 CE LYS A 117 -17.645 -4.447 -4.501 1.00 55.21 C ATOM 1926 NZ LYS A 117 -17.003 -5.786 -4.458 1.00 44.33 N ATOM 0 H LYS A 117 -12.742 -3.752 -4.379 1.00 1.23 H new ATOM 0 HA LYS A 117 -13.509 -1.134 -5.171 1.00 51.32 H new ATOM 0 HB2 LYS A 117 -14.278 -2.729 -2.681 1.00 72.45 H new ATOM 0 HB3 LYS A 117 -15.133 -1.329 -3.299 1.00 72.45 H new ATOM 0 HG2 LYS A 117 -15.590 -2.666 -5.434 1.00 65.42 H new ATOM 0 HG3 LYS A 117 -14.919 -4.068 -4.624 1.00 65.42 H new ATOM 0 HD2 LYS A 117 -16.635 -3.704 -2.753 1.00 61.50 H new ATOM 0 HD3 LYS A 117 -17.364 -2.454 -3.742 1.00 61.50 H new ATOM 0 HE2 LYS A 117 -18.631 -4.502 -4.039 1.00 55.21 H new ATOM 0 HE3 LYS A 117 -17.796 -4.150 -5.539 1.00 55.21 H new ATOM 0 HZ1 LYS A 117 -17.736 -6.523 -4.484 1.00 44.33 H new ATOM 0 HZ2 LYS A 117 -16.373 -5.895 -5.278 1.00 44.33 H new ATOM 0 HZ3 LYS A 117 -16.450 -5.878 -3.582 1.00 44.33 H new ATOM 1940 N ARG A 118 -11.841 -1.454 -2.311 1.00 22.12 N ATOM 1941 CA ARG A 118 -11.113 -0.781 -1.221 1.00 43.35 C ATOM 1942 C ARG A 118 -9.739 -0.281 -1.697 1.00 3.33 C ATOM 1943 O ARG A 118 -9.147 0.612 -1.076 1.00 45.22 O ATOM 1944 CB ARG A 118 -10.963 -1.742 -0.011 1.00 72.44 C ATOM 1945 CG ARG A 118 -12.295 -2.356 0.484 1.00 13.11 C ATOM 1946 CD ARG A 118 -13.338 -1.318 0.940 1.00 34.12 C ATOM 1947 NE ARG A 118 -14.596 -1.964 1.331 1.00 74.41 N ATOM 1948 CZ ARG A 118 -15.774 -1.347 1.501 1.00 44.12 C ATOM 1949 NH1 ARG A 118 -15.902 -0.035 1.339 1.00 35.02 N ATOM 1950 NH2 ARG A 118 -16.845 -2.068 1.767 1.00 54.53 N ATOM 0 H ARG A 118 -11.831 -2.471 -2.234 1.00 22.12 H new ATOM 0 HA ARG A 118 -11.689 0.090 -0.908 1.00 43.35 H new ATOM 0 HB2 ARG A 118 -10.284 -2.549 -0.285 1.00 72.44 H new ATOM 0 HB3 ARG A 118 -10.498 -1.200 0.813 1.00 72.44 H new ATOM 0 HG2 ARG A 118 -12.724 -2.958 -0.317 1.00 13.11 H new ATOM 0 HG3 ARG A 118 -12.085 -3.032 1.313 1.00 13.11 H new ATOM 0 HD2 ARG A 118 -12.943 -0.747 1.780 1.00 34.12 H new ATOM 0 HD3 ARG A 118 -13.526 -0.609 0.133 1.00 34.12 H new ATOM 0 HE ARG A 118 -14.572 -2.972 1.487 1.00 74.41 H new ATOM 0 HH11 ARG A 118 -15.092 0.528 1.079 1.00 35.02 H new ATOM 0 HH12 ARG A 118 -16.810 0.409 1.475 1.00 35.02 H new ATOM 0 HH21 ARG A 118 -16.771 -3.083 1.841 1.00 54.53 H new ATOM 0 HH22 ARG A 118 -17.747 -1.611 1.899 1.00 54.53 H new ATOM 1964 N LEU A 119 -9.240 -0.887 -2.797 1.00 72.11 N ATOM 1965 CA LEU A 119 -8.030 -0.429 -3.498 1.00 14.15 C ATOM 1966 C LEU A 119 -8.299 0.994 -4.035 1.00 45.24 C ATOM 1967 O LEU A 119 -7.661 1.958 -3.597 1.00 5.13 O ATOM 1968 CB LEU A 119 -7.665 -1.438 -4.643 1.00 5.43 C ATOM 1969 CG LEU A 119 -6.161 -1.530 -5.109 1.00 33.40 C ATOM 1970 CD1 LEU A 119 -5.604 -0.198 -5.653 1.00 72.32 C ATOM 1971 CD2 LEU A 119 -5.264 -2.089 -3.985 1.00 30.41 C ATOM 0 H LEU A 119 -9.670 -1.709 -3.221 1.00 72.11 H new ATOM 0 HA LEU A 119 -7.174 -0.392 -2.824 1.00 14.15 H new ATOM 0 HB2 LEU A 119 -7.974 -2.432 -4.321 1.00 5.43 H new ATOM 0 HB3 LEU A 119 -8.268 -1.184 -5.515 1.00 5.43 H new ATOM 0 HG LEU A 119 -6.147 -2.228 -5.946 1.00 33.40 H new ATOM 0 HD11 LEU A 119 -4.566 -0.334 -5.955 1.00 72.32 H new ATOM 0 HD12 LEU A 119 -6.194 0.119 -6.513 1.00 72.32 H new ATOM 0 HD13 LEU A 119 -5.659 0.564 -4.875 1.00 72.32 H new ATOM 0 HD21 LEU A 119 -4.233 -2.141 -4.334 1.00 30.41 H new ATOM 0 HD22 LEU A 119 -5.320 -1.434 -3.115 1.00 30.41 H new ATOM 0 HD23 LEU A 119 -5.605 -3.087 -3.710 1.00 30.41 H new ATOM 1983 N LYS A 120 -9.319 1.100 -4.923 1.00 52.11 N ATOM 1984 CA LYS A 120 -9.737 2.372 -5.558 1.00 55.43 C ATOM 1985 C LYS A 120 -10.152 3.427 -4.512 1.00 13.44 C ATOM 1986 O LYS A 120 -9.863 4.620 -4.677 1.00 23.31 O ATOM 1987 CB LYS A 120 -10.923 2.113 -6.526 1.00 54.53 C ATOM 1988 CG LYS A 120 -11.439 3.374 -7.265 1.00 33.10 C ATOM 1989 CD LYS A 120 -12.623 3.079 -8.213 1.00 5.23 C ATOM 1990 CE LYS A 120 -13.897 2.639 -7.472 1.00 23.55 C ATOM 1991 NZ LYS A 120 -14.440 3.720 -6.606 1.00 62.31 N ATOM 0 H LYS A 120 -9.877 0.299 -5.219 1.00 52.11 H new ATOM 0 HA LYS A 120 -8.881 2.761 -6.109 1.00 55.43 H new ATOM 0 HB2 LYS A 120 -10.616 1.374 -7.266 1.00 54.53 H new ATOM 0 HB3 LYS A 120 -11.747 1.676 -5.962 1.00 54.53 H new ATOM 0 HG2 LYS A 120 -11.746 4.118 -6.530 1.00 33.10 H new ATOM 0 HG3 LYS A 120 -10.622 3.811 -7.839 1.00 33.10 H new ATOM 0 HD2 LYS A 120 -12.841 3.971 -8.800 1.00 5.23 H new ATOM 0 HD3 LYS A 120 -12.332 2.299 -8.916 1.00 5.23 H new ATOM 0 HE2 LYS A 120 -14.654 2.341 -8.198 1.00 23.55 H new ATOM 0 HE3 LYS A 120 -13.677 1.762 -6.863 1.00 23.55 H new ATOM 0 HZ1 LYS A 120 -15.288 3.376 -6.112 1.00 62.31 H new ATOM 0 HZ2 LYS A 120 -13.722 3.999 -5.907 1.00 62.31 H new ATOM 0 HZ3 LYS A 120 -14.690 4.542 -7.192 1.00 62.31 H new ATOM 2005 N GLU A 121 -10.825 2.948 -3.440 1.00 5.00 N ATOM 2006 CA GLU A 121 -11.332 3.786 -2.336 1.00 71.21 C ATOM 2007 C GLU A 121 -10.216 4.658 -1.735 1.00 53.14 C ATOM 2008 O GLU A 121 -10.398 5.864 -1.528 1.00 31.33 O ATOM 2009 CB GLU A 121 -11.945 2.890 -1.229 1.00 33.24 C ATOM 2010 CG GLU A 121 -12.559 3.662 -0.047 1.00 75.44 C ATOM 2011 CD GLU A 121 -12.907 2.764 1.145 1.00 12.32 C ATOM 2012 OE1 GLU A 121 -13.879 2.001 1.059 1.00 70.31 O ATOM 2013 OE2 GLU A 121 -12.198 2.807 2.168 1.00 21.05 O ATOM 0 H GLU A 121 -11.032 1.957 -3.319 1.00 5.00 H new ATOM 0 HA GLU A 121 -12.099 4.445 -2.742 1.00 71.21 H new ATOM 0 HB2 GLU A 121 -12.715 2.261 -1.674 1.00 33.24 H new ATOM 0 HB3 GLU A 121 -11.170 2.224 -0.848 1.00 33.24 H new ATOM 0 HG2 GLU A 121 -11.859 4.432 0.278 1.00 75.44 H new ATOM 0 HG3 GLU A 121 -13.461 4.173 -0.384 1.00 75.44 H new ATOM 2020 N LEU A 122 -9.044 4.033 -1.505 1.00 25.54 N ATOM 2021 CA LEU A 122 -7.901 4.709 -0.874 1.00 21.32 C ATOM 2022 C LEU A 122 -7.249 5.714 -1.827 1.00 10.01 C ATOM 2023 O LEU A 122 -6.812 6.767 -1.381 1.00 11.33 O ATOM 2024 CB LEU A 122 -6.862 3.690 -0.333 1.00 2.11 C ATOM 2025 CG LEU A 122 -7.387 2.739 0.795 1.00 1.14 C ATOM 2026 CD1 LEU A 122 -6.237 2.036 1.533 1.00 64.10 C ATOM 2027 CD2 LEU A 122 -8.295 3.483 1.785 1.00 4.01 C ATOM 0 H LEU A 122 -8.867 3.058 -1.749 1.00 25.54 H new ATOM 0 HA LEU A 122 -8.287 5.267 -0.021 1.00 21.32 H new ATOM 0 HB2 LEU A 122 -6.507 3.081 -1.164 1.00 2.11 H new ATOM 0 HB3 LEU A 122 -6.002 4.240 0.049 1.00 2.11 H new ATOM 0 HG LEU A 122 -7.984 1.970 0.304 1.00 1.14 H new ATOM 0 HD11 LEU A 122 -6.645 1.386 2.307 1.00 64.10 H new ATOM 0 HD12 LEU A 122 -5.661 1.440 0.825 1.00 64.10 H new ATOM 0 HD13 LEU A 122 -5.588 2.783 1.991 1.00 64.10 H new ATOM 0 HD21 LEU A 122 -8.640 2.791 2.553 1.00 4.01 H new ATOM 0 HD22 LEU A 122 -7.737 4.294 2.252 1.00 4.01 H new ATOM 0 HD23 LEU A 122 -9.154 3.893 1.254 1.00 4.01 H new ATOM 2039 N LEU A 123 -7.227 5.395 -3.136 1.00 24.32 N ATOM 2040 CA LEU A 123 -6.747 6.328 -4.189 1.00 34.31 C ATOM 2041 C LEU A 123 -7.535 7.660 -4.134 1.00 53.25 C ATOM 2042 O LEU A 123 -6.944 8.743 -4.179 1.00 5.23 O ATOM 2043 CB LEU A 123 -6.853 5.687 -5.609 1.00 42.42 C ATOM 2044 CG LEU A 123 -5.658 4.783 -6.078 1.00 32.04 C ATOM 2045 CD1 LEU A 123 -4.339 5.581 -6.143 1.00 53.30 C ATOM 2046 CD2 LEU A 123 -5.505 3.512 -5.222 1.00 44.21 C ATOM 0 H LEU A 123 -7.537 4.493 -3.497 1.00 24.32 H new ATOM 0 HA LEU A 123 -5.695 6.536 -3.995 1.00 34.31 H new ATOM 0 HB2 LEU A 123 -7.763 5.088 -5.642 1.00 42.42 H new ATOM 0 HB3 LEU A 123 -6.974 6.491 -6.335 1.00 42.42 H new ATOM 0 HG LEU A 123 -5.898 4.450 -7.088 1.00 32.04 H new ATOM 0 HD11 LEU A 123 -3.533 4.925 -6.471 1.00 53.30 H new ATOM 0 HD12 LEU A 123 -4.447 6.405 -6.849 1.00 53.30 H new ATOM 0 HD13 LEU A 123 -4.105 5.978 -5.155 1.00 53.30 H new ATOM 0 HD21 LEU A 123 -4.664 2.924 -5.590 1.00 44.21 H new ATOM 0 HD22 LEU A 123 -5.325 3.792 -4.184 1.00 44.21 H new ATOM 0 HD23 LEU A 123 -6.417 2.919 -5.285 1.00 44.21 H new ATOM 2058 N GLU A 124 -8.860 7.542 -3.935 1.00 62.23 N ATOM 2059 CA GLU A 124 -9.786 8.689 -3.861 1.00 53.00 C ATOM 2060 C GLU A 124 -9.561 9.495 -2.554 1.00 75.52 C ATOM 2061 O GLU A 124 -9.402 10.727 -2.591 1.00 64.24 O ATOM 2062 CB GLU A 124 -11.251 8.170 -3.970 1.00 5.10 C ATOM 2063 CG GLU A 124 -11.553 7.428 -5.297 1.00 51.52 C ATOM 2064 CD GLU A 124 -12.901 6.690 -5.295 1.00 22.15 C ATOM 2065 OE1 GLU A 124 -13.917 7.274 -5.730 1.00 43.13 O ATOM 2066 OE2 GLU A 124 -12.956 5.522 -4.850 1.00 60.45 O ATOM 0 H GLU A 124 -9.323 6.641 -3.820 1.00 62.23 H new ATOM 0 HA GLU A 124 -9.593 9.368 -4.691 1.00 53.00 H new ATOM 0 HB2 GLU A 124 -11.452 7.499 -3.135 1.00 5.10 H new ATOM 0 HB3 GLU A 124 -11.934 9.014 -3.872 1.00 5.10 H new ATOM 0 HG2 GLU A 124 -11.543 8.147 -6.116 1.00 51.52 H new ATOM 0 HG3 GLU A 124 -10.756 6.711 -5.492 1.00 51.52 H new ATOM 2073 N LYS A 125 -9.482 8.760 -1.411 1.00 11.51 N ATOM 2074 CA LYS A 125 -9.249 9.337 -0.059 1.00 64.10 C ATOM 2075 C LYS A 125 -7.932 10.127 0.023 1.00 43.33 C ATOM 2076 O LYS A 125 -7.821 11.099 0.780 1.00 41.44 O ATOM 2077 CB LYS A 125 -9.233 8.222 1.025 1.00 71.12 C ATOM 2078 CG LYS A 125 -10.594 7.548 1.302 1.00 62.22 C ATOM 2079 CD LYS A 125 -10.470 6.385 2.322 1.00 72.42 C ATOM 2080 CE LYS A 125 -9.827 6.818 3.658 1.00 53.21 C ATOM 2081 NZ LYS A 125 -9.676 5.683 4.613 1.00 12.21 N ATOM 0 H LYS A 125 -9.579 7.745 -1.403 1.00 11.51 H new ATOM 0 HA LYS A 125 -10.075 10.024 0.125 1.00 64.10 H new ATOM 0 HB2 LYS A 125 -8.522 7.454 0.722 1.00 71.12 H new ATOM 0 HB3 LYS A 125 -8.862 8.650 1.957 1.00 71.12 H new ATOM 0 HG2 LYS A 125 -11.295 8.291 1.682 1.00 62.22 H new ATOM 0 HG3 LYS A 125 -11.007 7.168 0.368 1.00 62.22 H new ATOM 0 HD2 LYS A 125 -11.460 5.975 2.518 1.00 72.42 H new ATOM 0 HD3 LYS A 125 -9.875 5.585 1.882 1.00 72.42 H new ATOM 0 HE2 LYS A 125 -8.848 7.256 3.461 1.00 53.21 H new ATOM 0 HE3 LYS A 125 -10.438 7.596 4.116 1.00 53.21 H new ATOM 0 HZ1 LYS A 125 -9.603 6.052 5.582 1.00 12.21 H new ATOM 0 HZ2 LYS A 125 -10.504 5.058 4.543 1.00 12.21 H new ATOM 0 HZ3 LYS A 125 -8.816 5.146 4.381 1.00 12.21 H new ATOM 2095 N VAL A 126 -6.935 9.678 -0.745 1.00 24.40 N ATOM 2096 CA VAL A 126 -5.620 10.316 -0.783 1.00 70.11 C ATOM 2097 C VAL A 126 -5.631 11.540 -1.713 1.00 4.52 C ATOM 2098 O VAL A 126 -5.035 12.558 -1.384 1.00 31.32 O ATOM 2099 CB VAL A 126 -4.501 9.304 -1.201 1.00 5.10 C ATOM 2100 CG1 VAL A 126 -3.152 10.018 -1.344 1.00 23.01 C ATOM 2101 CG2 VAL A 126 -4.388 8.151 -0.179 1.00 44.13 C ATOM 0 H VAL A 126 -7.018 8.865 -1.355 1.00 24.40 H new ATOM 0 HA VAL A 126 -5.391 10.658 0.226 1.00 70.11 H new ATOM 0 HB VAL A 126 -4.777 8.881 -2.167 1.00 5.10 H new ATOM 0 HG11 VAL A 126 -2.388 9.297 -1.635 1.00 23.01 H new ATOM 0 HG12 VAL A 126 -3.229 10.793 -2.107 1.00 23.01 H new ATOM 0 HG13 VAL A 126 -2.878 10.473 -0.392 1.00 23.01 H new ATOM 0 HG21 VAL A 126 -3.604 7.462 -0.493 1.00 44.13 H new ATOM 0 HG22 VAL A 126 -4.143 8.557 0.802 1.00 44.13 H new ATOM 0 HG23 VAL A 126 -5.338 7.619 -0.124 1.00 44.13 H new ATOM 2111 N LEU A 127 -6.330 11.456 -2.861 1.00 25.52 N ATOM 2112 CA LEU A 127 -6.434 12.604 -3.797 1.00 31.21 C ATOM 2113 C LEU A 127 -7.188 13.789 -3.154 1.00 13.14 C ATOM 2114 O LEU A 127 -7.057 14.930 -3.607 1.00 33.54 O ATOM 2115 CB LEU A 127 -7.097 12.202 -5.138 1.00 0.03 C ATOM 2116 CG LEU A 127 -6.294 11.215 -6.043 1.00 40.01 C ATOM 2117 CD1 LEU A 127 -7.009 11.024 -7.398 1.00 13.43 C ATOM 2118 CD2 LEU A 127 -4.822 11.668 -6.225 1.00 2.43 C ATOM 0 H LEU A 127 -6.827 10.619 -3.165 1.00 25.52 H new ATOM 0 HA LEU A 127 -5.415 12.924 -4.015 1.00 31.21 H new ATOM 0 HB2 LEU A 127 -8.066 11.753 -4.919 1.00 0.03 H new ATOM 0 HB3 LEU A 127 -7.289 13.110 -5.710 1.00 0.03 H new ATOM 0 HG LEU A 127 -6.260 10.248 -5.541 1.00 40.01 H new ATOM 0 HD11 LEU A 127 -6.437 10.333 -8.017 1.00 13.43 H new ATOM 0 HD12 LEU A 127 -8.007 10.619 -7.229 1.00 13.43 H new ATOM 0 HD13 LEU A 127 -7.089 11.985 -7.906 1.00 13.43 H new ATOM 0 HD21 LEU A 127 -4.298 10.955 -6.861 1.00 2.43 H new ATOM 0 HD22 LEU A 127 -4.799 12.654 -6.690 1.00 2.43 H new ATOM 0 HD23 LEU A 127 -4.333 11.715 -5.252 1.00 2.43 H new ATOM 2130 N GLU A 128 -7.977 13.485 -2.104 1.00 73.23 N ATOM 2131 CA GLU A 128 -8.606 14.502 -1.237 1.00 71.11 C ATOM 2132 C GLU A 128 -7.575 15.435 -0.542 1.00 22.53 C ATOM 2133 O GLU A 128 -7.918 16.575 -0.207 1.00 50.55 O ATOM 2134 CB GLU A 128 -9.514 13.812 -0.183 1.00 32.44 C ATOM 2135 CG GLU A 128 -10.767 13.139 -0.778 1.00 4.10 C ATOM 2136 CD GLU A 128 -11.730 12.601 0.289 1.00 35.23 C ATOM 2137 OE1 GLU A 128 -12.350 13.425 0.998 1.00 22.54 O ATOM 2138 OE2 GLU A 128 -11.877 11.369 0.425 1.00 61.41 O ATOM 0 H GLU A 128 -8.196 12.526 -1.833 1.00 73.23 H new ATOM 0 HA GLU A 128 -9.210 15.140 -1.882 1.00 71.11 H new ATOM 0 HB2 GLU A 128 -8.929 13.062 0.349 1.00 32.44 H new ATOM 0 HB3 GLU A 128 -9.827 14.553 0.553 1.00 32.44 H new ATOM 0 HG2 GLU A 128 -11.295 13.858 -1.405 1.00 4.10 H new ATOM 0 HG3 GLU A 128 -10.458 12.319 -1.426 1.00 4.10 H new ATOM 2145 N HIS A 129 -6.316 14.961 -0.325 1.00 61.14 N ATOM 2146 CA HIS A 129 -5.243 15.808 0.275 1.00 25.01 C ATOM 2147 C HIS A 129 -4.866 16.946 -0.705 1.00 53.10 C ATOM 2148 O HIS A 129 -4.984 16.790 -1.932 1.00 51.02 O ATOM 2149 CB HIS A 129 -3.968 14.984 0.735 1.00 23.24 C ATOM 2150 CG HIS A 129 -2.928 14.601 -0.323 1.00 60.24 C ATOM 2151 ND1 HIS A 129 -2.610 13.290 -0.639 1.00 45.10 N ATOM 2152 CD2 HIS A 129 -2.095 15.355 -1.091 1.00 62.04 C ATOM 2153 CE1 HIS A 129 -1.647 13.271 -1.541 1.00 73.33 C ATOM 2154 NE2 HIS A 129 -1.327 14.504 -1.827 1.00 12.35 N ATOM 0 H HIS A 129 -6.021 14.011 -0.552 1.00 61.14 H new ATOM 0 HA HIS A 129 -5.647 16.240 1.190 1.00 25.01 H new ATOM 0 HB2 HIS A 129 -3.459 15.562 1.506 1.00 23.24 H new ATOM 0 HB3 HIS A 129 -4.318 14.065 1.204 1.00 23.24 H new ATOM 0 HD2 HIS A 129 -2.051 16.434 -1.113 1.00 62.04 H new ATOM 0 HE1 HIS A 129 -1.200 12.386 -1.970 1.00 73.33 H new ATOM 0 HE2 HIS A 129 -0.612 14.786 -2.498 1.00 12.35 H new ATOM 2163 N HIS A 130 -4.398 18.067 -0.136 1.00 10.32 N ATOM 2164 CA HIS A 130 -4.023 19.288 -0.876 1.00 3.10 C ATOM 2165 C HIS A 130 -2.799 19.024 -1.785 1.00 4.21 C ATOM 2166 O HIS A 130 -1.748 18.607 -1.302 1.00 62.53 O ATOM 2167 CB HIS A 130 -3.733 20.419 0.148 1.00 62.50 C ATOM 2168 CG HIS A 130 -3.394 21.755 -0.449 1.00 61.44 C ATOM 2169 ND1 HIS A 130 -4.349 22.681 -0.792 1.00 20.12 N ATOM 2170 CD2 HIS A 130 -2.201 22.330 -0.734 1.00 25.53 C ATOM 2171 CE1 HIS A 130 -3.763 23.763 -1.259 1.00 64.21 C ATOM 2172 NE2 HIS A 130 -2.464 23.574 -1.227 1.00 74.21 N ATOM 0 H HIS A 130 -4.266 18.155 0.872 1.00 10.32 H new ATOM 0 HA HIS A 130 -4.843 19.593 -1.526 1.00 3.10 H new ATOM 0 HB2 HIS A 130 -4.606 20.538 0.790 1.00 62.50 H new ATOM 0 HB3 HIS A 130 -2.907 20.105 0.787 1.00 62.50 H new ATOM 0 HD2 HIS A 130 -1.226 21.887 -0.597 1.00 25.53 H new ATOM 0 HE1 HIS A 130 -4.264 24.653 -1.609 1.00 64.21 H new ATOM 0 HE2 HIS A 130 -1.762 24.251 -1.524 1.00 74.21 H new ATOM 2181 N HIS A 131 -2.947 19.271 -3.097 1.00 12.31 N ATOM 2182 CA HIS A 131 -1.897 18.973 -4.102 1.00 23.33 C ATOM 2183 C HIS A 131 -0.874 20.128 -4.191 1.00 32.32 C ATOM 2184 O HIS A 131 -0.999 21.140 -3.496 1.00 31.23 O ATOM 2185 CB HIS A 131 -2.547 18.725 -5.494 1.00 45.23 C ATOM 2186 CG HIS A 131 -3.669 17.717 -5.503 1.00 13.34 C ATOM 2187 ND1 HIS A 131 -4.900 17.984 -6.059 1.00 52.01 N ATOM 2188 CD2 HIS A 131 -3.747 16.445 -5.029 1.00 3.33 C ATOM 2189 CE1 HIS A 131 -5.676 16.937 -5.936 1.00 75.03 C ATOM 2190 NE2 HIS A 131 -5.004 15.991 -5.318 1.00 71.43 N ATOM 0 H HIS A 131 -3.792 19.681 -3.496 1.00 12.31 H new ATOM 0 HA HIS A 131 -1.368 18.073 -3.789 1.00 23.33 H new ATOM 0 HB2 HIS A 131 -2.927 19.673 -5.875 1.00 45.23 H new ATOM 0 HB3 HIS A 131 -1.773 18.391 -6.185 1.00 45.23 H new ATOM 0 HD2 HIS A 131 -2.966 15.898 -4.522 1.00 3.33 H new ATOM 0 HE1 HIS A 131 -6.696 16.863 -6.283 1.00 75.03 H new ATOM 0 HE2 HIS A 131 -5.364 15.064 -5.090 1.00 71.43 H new ATOM 2199 N HIS A 132 0.151 19.953 -5.045 1.00 43.02 N ATOM 2200 CA HIS A 132 1.152 21.004 -5.348 1.00 14.10 C ATOM 2201 C HIS A 132 0.995 21.455 -6.805 1.00 21.24 C ATOM 2202 O HIS A 132 0.743 20.627 -7.691 1.00 64.14 O ATOM 2203 CB HIS A 132 2.596 20.486 -5.119 1.00 71.41 C ATOM 2204 CG HIS A 132 2.891 20.085 -3.698 1.00 63.13 C ATOM 2205 ND1 HIS A 132 3.593 20.886 -2.827 1.00 64.45 N ATOM 2206 CD2 HIS A 132 2.577 18.970 -2.999 1.00 73.50 C ATOM 2207 CE1 HIS A 132 3.694 20.287 -1.665 1.00 44.42 C ATOM 2208 NE2 HIS A 132 3.081 19.123 -1.731 1.00 64.04 N ATOM 0 H HIS A 132 0.313 19.080 -5.547 1.00 43.02 H new ATOM 0 HA HIS A 132 0.980 21.845 -4.676 1.00 14.10 H new ATOM 0 HB2 HIS A 132 2.770 19.629 -5.770 1.00 71.41 H new ATOM 0 HB3 HIS A 132 3.300 21.262 -5.419 1.00 71.41 H new ATOM 0 HD1 HIS A 132 3.976 21.805 -3.051 1.00 64.45 H new ATOM 0 HD2 HIS A 132 2.030 18.116 -3.370 1.00 73.50 H new ATOM 0 HE1 HIS A 132 4.198 20.683 -0.796 1.00 44.42 H new ATOM 2217 N HIS A 133 1.153 22.767 -7.040 1.00 22.25 N ATOM 2218 CA HIS A 133 1.092 23.369 -8.382 1.00 55.41 C ATOM 2219 C HIS A 133 1.714 24.779 -8.342 1.00 1.03 C ATOM 2220 O HIS A 133 1.321 25.620 -7.525 1.00 53.01 O ATOM 2221 CB HIS A 133 -0.369 23.420 -8.929 1.00 44.44 C ATOM 2222 CG HIS A 133 -1.352 24.194 -8.079 1.00 30.44 C ATOM 2223 ND1 HIS A 133 -1.862 25.428 -8.436 1.00 34.32 N ATOM 2224 CD2 HIS A 133 -1.922 23.892 -6.889 1.00 62.23 C ATOM 2225 CE1 HIS A 133 -2.704 25.839 -7.509 1.00 63.44 C ATOM 2226 NE2 HIS A 133 -2.754 24.927 -6.562 1.00 71.12 N ATOM 0 H HIS A 133 1.328 23.445 -6.299 1.00 22.25 H new ATOM 0 HA HIS A 133 1.664 22.742 -9.066 1.00 55.41 H new ATOM 0 HB2 HIS A 133 -0.351 23.860 -9.926 1.00 44.44 H new ATOM 0 HB3 HIS A 133 -0.734 22.399 -9.038 1.00 44.44 H new ATOM 0 HD2 HIS A 133 -1.751 22.999 -6.306 1.00 62.23 H new ATOM 0 HE1 HIS A 133 -3.258 26.766 -7.524 1.00 63.44 H new ATOM 0 HE2 HIS A 133 -3.323 24.983 -5.717 1.00 71.12 H new ATOM 2235 N HIS A 134 2.717 24.999 -9.202 1.00 45.11 N ATOM 2236 CA HIS A 134 3.387 26.301 -9.370 1.00 14.54 C ATOM 2237 C HIS A 134 2.923 26.933 -10.703 1.00 51.52 C ATOM 2238 O HIS A 134 3.186 26.341 -11.771 1.00 13.44 O ATOM 2239 CB HIS A 134 4.934 26.135 -9.324 1.00 23.15 C ATOM 2240 CG HIS A 134 5.693 27.413 -9.616 1.00 5.21 C ATOM 2241 ND1 HIS A 134 5.749 28.478 -8.739 1.00 14.32 N ATOM 2242 CD2 HIS A 134 6.389 27.808 -10.714 1.00 71.21 C ATOM 2243 CE1 HIS A 134 6.436 29.464 -9.286 1.00 61.33 C ATOM 2244 NE2 HIS A 134 6.831 29.085 -10.480 1.00 41.41 N ATOM 2245 OXT HIS A 134 2.290 28.007 -10.676 1.00 38.27 O ATOM 0 H HIS A 134 3.093 24.271 -9.809 1.00 45.11 H new ATOM 0 HA HIS A 134 3.114 26.965 -8.550 1.00 14.54 H new ATOM 0 HB2 HIS A 134 5.222 25.769 -8.338 1.00 23.15 H new ATOM 0 HB3 HIS A 134 5.230 25.374 -10.046 1.00 23.15 H new ATOM 0 HD2 HIS A 134 6.562 27.224 -11.606 1.00 71.21 H new ATOM 0 HE1 HIS A 134 6.639 30.421 -8.829 1.00 61.33 H new ATOM 0 HE2 HIS A 134 7.379 29.650 -11.129 1.00 41.41 H new TER 2254 HIS A 134